SCHEMBL5623938

SCHEMBL5623938

CCN(CC1CCC1)c1nc2ccccc2cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 4/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 4/20 0.36
MAPT P10636 4/20 0.36
RXFP1 Q9HBX9 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
FFAR2 O15552 1/20 0.36
POLB P06746 3/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL2393935 0.99 ALDH1A1 (0.45) ALDH1A1GAALMNAHPGDSMN1; SMN2
SCHEMBL4496282 0.88 ALDH1A1 (0.46) ALDH1A1GAALMNAHPGDSMN1; SMN2
SCHEMBL2392414 0.86 ALDH1A1 (0.45) ALDH1A1GAALMNAHPGDSMN1; SMN2
SCHEMBL11947610 0.85 ALDH1A1 (0.43) ALDH1A1GAALMNAHPGDSMN1; SMN2
SCHEMBL2395691 0.83 ALDH1A1 (0.41) ALDH1A1LMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL4189946 0.83 ALDH1A1 (0.40) ALDH1A1GAAHPGDKDM4EL3MBTL1
SCHEMBL5047938 0.82 RXFP1 (0.38) ALDH1A1HPGDSMN1; SMN2KDM4ENPSR1
SCHEMBL2394735 0.82 CSNK1D (0.39) ALDH1A1GAAHPGDKDM4EL3MBTL1
SCHEMBL19189688 0.81 ALDH1A1 (0.40) ALDH1A1GAALMNAHPGDRXFP1
SCHEMBL4195023 0.81 ALDH1A1 (0.34) ALDH1A1GAAHPGDKDM4EL3MBTL1

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 15 patents. 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-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
CN-103102303-B As the benzyl amine derivative of CETP inhibitor DR. REDDY'S LABORATORIES LTD. (IN) 2015-10-28 CN 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-9040558-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-05-26 US disclosed
US-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-05-15 US disclosed
US-8604055-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2013-12-10 US disclosed
CN-103102303-A Benzylamine derivatives as CETP inhibitors REDDY US THERAPEUTICS INC 2013-05-15 CN disclosed
CN-101443006-B Novel benzylamine derivatives as CETP inhibitors REDDY US THERAPEUTICS INC 2012-10-10 CN disclosed
CN-101443006-A Novel benzylamine derivatives as CETP inhibitors REDDY US THERAPEUTICS INC (US) 2009-05-27 CN 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-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 (4 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-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, DBI ALDH1A1 3986/4885GAA 376/4885LMNA 1125/4885
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-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.