SCHEMBL5623725

SCHEMBL5623725

CC(=O)Nc1ccccc1-c1ccccc1C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
HPGD P15428 1/20 0.71
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PARP14 Q460N5 7/20 0.56
MAOA P21397 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
EPHX1 P07099 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL6326388 0.90 ALDH1A1 (0.65) ALDH1A1HPGDKDM4ESMN1; SMN2PARP14
SCHEMBL5107006 0.86 RAB9A (0.53) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL9237997 0.84 KMT2A (0.57) ALDH1A1HPGDKDM4ESMN1; SMN2PARP14
SCHEMBL10517748 0.84 HPGD (1.00) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL96123 0.84 HPGD (1.00) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL11613744 0.83 NPC1 (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL16429257 0.82 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ESMN1; SMN2PARP14
SCHEMBL31047113 0.81 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
Butanedione SCHEMBL28072236 0.80 HPGD (0.92) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
Acetic Acid SCHEMBL28756539 0.80 HPGD (0.92) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1

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 3986/4885HPGD 3328/4885KDM4E 1691/4885
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP ALDH1A1 2612/4885HPGD 2500/4885KDM4E 1933/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI ALDH1A1 3986/4885HPGD 3328/4885KDM4E 1691/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC ALDH1A1 4060/4885HPGD 2541/4885KDM4E 1107/4885

“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.