SCHEMBL4099299

SCHEMBL4099299

C[C@](N)(CSCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 1/20 0.46
BLM P54132 2/20 0.45
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
NOS3 P29474 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
PRMT1 Q99873 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
EGFR P00533 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL4092212 1.00 CYP2C19 (0.47) CYP2C19SMN1; SMN2HIF1ABLMNOS1
SCHEMBL4092217 1.00 CYP2C19 (0.47) CYP2C19SMN1; SMN2HIF1ABLMNOS1
Hydrochloric Acid SCHEMBL4106419 0.98 NOS1 (0.46) CYP2C19SMN1; SMN2HIF1ABLMNOS1
SCHEMBL13696271 0.88 CYP2C19 (0.46) CYP2C19SMN1; SMN2HIF1ACYP1A2CYP3A4
SCHEMBL4097392 0.88 CYP2C19 (0.46) CYP2C19SMN1; SMN2HIF1ANOS1NOS2
SCHEMBL4105009 0.88 CYP2C19 (0.46) CYP2C19SMN1; SMN2HIF1ANOS1NOS2
SCHEMBL4097397 0.88 CYP2C19 (0.46) CYP2C19SMN1; SMN2HIF1ANOS1NOS2
Hydrochloric Acid SCHEMBL4099430 0.87 CYP2C19 (0.42) CYP2C19SMN1; SMN2HIF1ABLMNOS1
Hydrochloric Acid SCHEMBL4099595 0.87 CYP2C19 (0.45) CYP2C19SMN1; SMN2HIF1ANOS1NOS2
Hydrochloric Acid SCHEMBL4099598 0.87 CYP2C19 (0.45) CYP2C19SMN1; SMN2HIF1ANOS1NOS2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006449-B1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE ALPHA-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) 2018-01-31 EP 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-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-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
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
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
CN-105189524-A Method for synthesizing optically active alpha-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 2015-12-23 CN disclosed
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-2064202-A2 A NEW CRYSTALLINE FORM G OF (5S)-5-[4-(5-CHLORO-PYRIDIN-2-YLOXY)-PIPERIDINE-1-SULFONYL-METHYL]-5-METHYL-IMIDAZOLIDINE-2,4-DIONE (I) AND INTERMEDIATES THEREOF. AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
WO-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 WO 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 (2 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-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 CYP2C19 1397/4885SMN1; SMN2 3709/4885HIF1A 3721/4885
US-20090221640-A1 Novel Crystal Modifications PTMS, NT5C, CDK5 CYP2C19 872/4885SMN1; SMN2 4216/4885HIF1A 4720/4885

“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.