SCHEMBL2393935

SCHEMBL2393935

CCN(CC1CCCC1)c1nc2ccccc2cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TRPV1 Q8NER1 2/20 0.37
FFAR2 O15552 1/20 0.37
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BACE1 P56817 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 4/20 0.36
MAPT P10636 3/20 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
SCHEMBL5623938 0.99 ALDH1A1 (0.46) ALDH1A1GAALMNASMN1; SMN2HPGD
SCHEMBL2392414 0.87 ALDH1A1 (0.45) ALDH1A1GAALMNASMN1; SMN2HPGD
SCHEMBL4496282 0.87 ALDH1A1 (0.46) ALDH1A1GAALMNASMN1; SMN2HPGD
SCHEMBL11947610 0.84 ALDH1A1 (0.43) ALDH1A1GAALMNASMN1; SMN2HPGD
SCHEMBL4189946 0.84 ALDH1A1 (0.40) ALDH1A1GAAHPGDKDM4ETRPV1
SCHEMBL2395691 0.84 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2HPGDCYP1A2
SCHEMBL2394735 0.83 CSNK1D (0.39) ALDH1A1GAAHPGDKDM4EMEN1
SCHEMBL19189688 0.83 ALDH1A1 (0.40) ALDH1A1GAALMNAHPGDTRPV1
SCHEMBL4195023 0.82 ALDH1A1 (0.34) ALDH1A1GAAHPGDKDM4EFFAR2
SCHEMBL5047938 0.81 RXFP1 (0.38) ALDH1A1SMN1; SMN2HPGDKDM4EFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
US-9765030-B2 Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-19 US disclosed
US-9765030-B2 Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-19 US disclosed
US-9765030-B2 Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-19 US disclosed
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-08-06 US disclosed
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-08-06 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090062306-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME KOWA COMPANY, LTD. (JP) 2009-03-05 US disclosed
EP-2024356-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-02-18 EP disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 WO disclosed
EP-1848430-A2 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Reddy US Therapeutics, Inc. (US) 2007-10-31 EP disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-10 US disclosed
WO-2006073973-A2 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2006-07-13 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 (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-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP ALDH1A1 2612/4885GAA 366/4885LMNA 851/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI ALDH1A1 3986/4885GAA 376/4885LMNA 1125/4885
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors CETP, LCAT, CES1 ALDH1A1 3563/4885GAA 556/4885LMNA 232/4885
US-20090062306-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME CETP, MTTP, NPC1L1 ALDH1A1 4006/4885GAA 4017/4885LMNA 3334/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC ALDH1A1 4060/4885GAA 163/4885LMNA 344/4885

“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.