SCHEMBL5132599

SCHEMBL5132599

O=Cc1ccc(F)nc1NC(C1CC1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.36
ADORA1 P30542 2/20 0.34
HTR2B P41595 1/20 0.34
IDH1 O75874 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL5623901 0.72 CRHR1 (0.34) CRHR1ADORA1HTR2BADORA3ADORA2A
SCHEMBL5133328 0.69 CRHR1 (0.32) CRHR1ADORA1HTR2BADORA3ADORA2A
SCHEMBL5049413 0.68 CRHR1 (0.35) CRHR1ADORA1ADORA3
SCHEMBL29438802 0.65 TDP1 (0.36)
SCHEMBL623439 0.65 TDP1 (0.36)
SCHEMBL5626968 0.65 BCDIN3D (0.35) CRHR1ADORA1ADORA3ADORA2A
SCHEMBL2209190 0.64 L3MBTL1 (0.41) ADORA1
SCHEMBL29950915 0.64 L3MBTL1 (0.41) ADORA1
SCHEMBL22074678 0.63 ALDH1A1 (0.38)
SCHEMBL29958083 0.63 ALDH1A1 (0.38)

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 7 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
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-8604055-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2013-12-10 US 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
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 CRHR1 4802/4885ADORA1 4087/4885HTR2B 3770/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI CRHR1 4802/4885ADORA1 4087/4885HTR2B 3770/4885

“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.