SCHEMBL4298702

SCHEMBL4298702

c1ccc2c3c(ccc2c1)CNCc1ccc2ccccc2c1-3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPRT1 P00492 1/20 0.42
MAPT P10636 1/20 0.41
WDR5 P61964 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
DNMT1 P26358 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CES1 P23141 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19033400 0.82 ALDH1A1 (0.31) HSD17B10TSHRALDH1A1CYP2A6TDP1
SCHEMBL14982011 0.82 ALDH1A1 (0.38) HSD17B10TSHRALDH1A1CYP2A6MAPT
SCHEMBL1938502 0.81 LMNA (0.46) HSD17B10TSHRALDH1A1CYP2A6TDP1
SCHEMBL868639 0.79 TSHR (0.52) HSD17B10TSHRALDH1A1CYP2A6TDP1
SCHEMBL29716676 0.79 TSHR (0.52) HSD17B10TSHRALDH1A1CYP2A6TDP1
SCHEMBL21385140 0.77 TSHR (0.50) HSD17B10TSHRALDH1A1CYP2A6TDP1
SCHEMBL31069613 0.76 AURKA (0.47) HSD17B10TSHRALDH1A1CYP2A6TDP1
SCHEMBL914483 0.74 ALDH1A1 (0.46) HSD17B10TSHRALDH1A1CYP2A6TDP1
SCHEMBL6503106 0.74 ALDH1A1 (0.46) HSD17B10TSHRALDH1A1CYP2A6TDP1
SCHEMBL28089496 0.74 DNMT1 (0.40) HSD17B10TSHRALDH1A1CYP2A6TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103374-A1 OPTICALLY ACTIVE QUARTERNARY AMMONIUM SALT WITH AXIAL CHIRALITY, METHOD FOR PRODUCING THEREOF, AND APPLICATION THEREOF FOR ASYMMETRIC SYNTHESIS OF ALPHA-AMINO ACID NAGASE & CO., LTD (JP) 2002-08-01 US claimed
US-6340753-B1 CATIONIC QUATERNARY AMMONIUM COMPOUNDS DEHYDROHALOGENATION OF COMPOUNDS TO FORM AMINES NAGASE & CO., LTD. (JP) 2002-01-22 US claimed
US-9695112-B2 Method for synthesizing optically active α-amino acid using chiral metal complex comprising axially chiral N-(2-acylaryl)-2-[5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl] acetamide compound and amino acid HAMARI CHEMICALS, LTD. (JP) 2017-07-04 US disclosed
US-9695112-B2 Method for synthesizing optically active α-amino acid using chiral metal complex comprising axially chiral N-(2-acylaryl)-2-[5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl] acetamide compound and amino acid HAMARI CHEMICALS, LTD. (JP) 2017-07-04 US disclosed
US-9688612-B2 Axially chiral N-(2-acylaryl)-2-[5,7-dihydro-6h-dibenzo[c,e]azepin-6-yl] acetamide compound and chirality interconversion method of a-amino acid using the same HAMARI CHEMICALS, LTD. (JP) 2017-06-27 US disclosed
US-9688612-B2 Axially chiral N-(2-acylaryl)-2-[5,7-dihydro-6h-dibenzo[c,e]azepin-6-yl] acetamide compound and chirality interconversion method of a-amino acid using the same HAMARI CHEMICALS, LTD. (JP) 2017-06-27 US disclosed
US-20160102045-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE a-AMINO ACID USING CHIRAL METAL COMPLEX COMPRISING AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND AMINO ACID HAMARI CHEMICALS, LTD. (JP) 2016-04-14 US disclosed
US-20160102045-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE a-AMINO ACID USING CHIRAL METAL COMPLEX COMPRISING AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND AMINO ACID HAMARI CHEMICALS, LTD. (JP) 2016-04-14 US disclosed
EP-3006449-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE -AMINO ACID USING CHIRAL METAL COMPLEX COMPRISING AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL]ACETAMIDE COMPOUND AND AMINO ACID Hamari Chemicals, Ltd. (JP) 2016-04-13 EP disclosed
US-20150321994-A1 AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND CHIRALITY INTERCONVERSION METHOD OF ALPHA-AMINO ACID USING THE SAME Hamari Chemicals, Ltd. 4-29 (JP) 2015-11-12 US disclosed
US-20150321994-A1 AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND CHIRALITY INTERCONVERSION METHOD OF ALPHA-AMINO ACID USING THE SAME Hamari Chemicals, Ltd. 4-29 (JP) 2015-11-12 US disclosed
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 EP disclosed
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 EP disclosed
JP-2005015402-A METHOD FOR PRODUCING OPTICALLY ACTIVE 3,5-DIHYDRO-4H-DINAPHTHO[2,1-c:1',2'-e]AZEPINE AND OXALATE THEREOF NAGASE & CO LTD 2005-01-20 JP disclosed
JP-2005015402-A METHOD FOR PRODUCING OPTICALLY ACTIVE 3,5-DIHYDRO-4H-DINAPHTHO[2,1-c:1',2'-e]AZEPINE AND OXALATE THEREOF NAGASE & CO LTD 2005-01-20 JP disclosed
US-6441231-B1 SPIRO QUARTERNARY AMMONIUM SALT COMPOUNDS, USED AS PHASE TRANSFER CATALYST FOR STEREOSELECTIVE ALKYLATION NAGASE & CO., LTD. (JP) 2002-08-27 US disclosed
US-20020103374-A1 OPTICALLY ACTIVE QUARTERNARY AMMONIUM SALT WITH AXIAL CHIRALITY, METHOD FOR PRODUCING THEREOF, AND APPLICATION THEREOF FOR ASYMMETRIC SYNTHESIS OF ALPHA-AMINO ACID NAGASE & CO., LTD (JP) 2002-08-01 US disclosed
US-20020065414-A1 Optically active quarternary ammonium salt with axial chirality, method for producing thereof, and aplication thereof for asymmetric synthesis of alpha-amino acid NAGASE & CO., LTD. (JP) 2002-05-30 US disclosed
US-6340753-B1 CATIONIC QUATERNARY AMMONIUM COMPOUNDS DEHYDROHALOGENATION OF COMPOUNDS TO FORM AMINES NAGASE & CO., LTD. (JP) 2002-01-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020065414-A1 Optically active quarternary ammonium salt with axial chirality, method for producing thereof, and aplication thereof for asymmetric synthesis of alpha-amino acid AADAT, AASDHPPT, BCAT1 HSD17B10 1801/4885TSHR 4766/4885ALDH1A1 1759/4885
US-20020103374-A1 OPTICALLY ACTIVE QUARTERNARY AMMONIUM SALT WITH AXIAL CHIRALITY, METHOD FOR PRODUCING THEREOF, AND APPLICATION THEREOF FOR ASYMMETRIC SYNTHESIS OF ALPHA-AMINO ACID AADAT, BCAT1, BCAT2 HSD17B10 1549/4885TSHR 4747/4885ALDH1A1 2441/4885
US-20160102045-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE a-AMINO ACID USING CHIRAL METAL COMPLEX COMPRISING AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND AMINO ACID AADAT, ALDH7A1, BCAT1 HSD17B10 1583/4885TSHR 4329/4885ALDH1A1 130/4885
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT HSD17B10 1492/4885TSHR 3260/4885ALDH1A1 837/4885
US-20150321994-A1 AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND CHIRALITY INTERCONVERSION METHOD OF ALPHA-AMINO ACID USING THE SAME ANPEP, NAAA, NAA15 HSD17B10 959/4885TSHR 3546/4885ALDH1A1 1672/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.