SCHEMBL5043535

SCHEMBL5043535

O=Cc1cc2cccc(C(F)(F)F)c2nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDR P35968 10/20 0.40
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MPI P34949 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 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
SCHEMBL19331488 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL458716 0.80 KDR (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29683769 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5116 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1881135 0.77 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL719667 0.76 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4181276 0.76 PDE3B (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1598310 0.75 HSD11B1 (0.41) PIM1PIM3ERN1
SCHEMBL28235435 0.75 KEAP1 (0.45) ALDH1A1KDM4E
SCHEMBL456610 0.73 ERN1 (0.53) SMN1; SMN2ERN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1981342-B1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDYS LAB LTD DR (IN) 2016-11-30 EP disclosed
EP-1981342-B1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDYS LAB LTD DR (IN) 2016-11-30 EP 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-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-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-101448397-B Selective benzylamine derivatives and their use as cholesteryl ester transfer protein inhibitors REDDYS LAB LTD DR 2013-04-24 CN disclosed
CN-101448397-A Selective benzylamine derivatives and their use as cholesteryl ester transfer protein inhibitors REDDY US THERAPEUTICS INC (US) 2009-06-03 CN disclosed
EP-1981342-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS Reddy US Therapeutics, Inc. (US) 2008-10-22 EP disclosed
WO-2007075194-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2007-07-05 WO disclosed
WO-2007075194-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2007-07-05 WO 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

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-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, DBI ALDH1A1 3986/4885CYP1A2 2839/4885CYP3A4 1813/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI ALDH1A1 3986/4885CYP1A2 2839/4885CYP3A4 1813/4885

“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.