SCHEMBL5046447

SCHEMBL5046447

O=Cc1cc2cccc(C(F)(F)F)c2nc1N(CC1CC1)CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.37
AR P10275 3/20 0.37
CRHR1 P34998 3/20 0.35
CNR2 P34972 2/20 0.35
LTC4S Q16873 3/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
CYP1A2 P05177 1/20 0.33
CCR4 P51679 1/20 0.32
NPY1R P25929 2/20 0.32
NPY5R Q15761 2/20 0.32

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
SCHEMBL5042709 0.84 PARP14 (0.38) CRHR1
SCHEMBL14602952 0.84 GRM2 (0.33) GRM2ARCCR4
SCHEMBL5047938 0.76 RXFP1 (0.38) CRHR1
SCHEMBL5050241 0.75 TACR1 (0.39) GRM2CRHR1CNR2LTC4SSLC6A2
SCHEMBL14602953 0.72 TACR1 (0.35) CRHR1CNR2LTC4SCCR4NPY1R
SCHEMBL5043535 0.72 ALDH1A1 (0.44) CYP1A2
SCHEMBL4496282 0.71 ALDH1A1 (0.46) CRHR1CYP1A2
SCHEMBL5623905 0.71 CRHR1 (0.36) CRHR1
SCHEMBL5623938 0.69 ALDH1A1 (0.46) CYP1A2
SCHEMBL5132600 0.69 CRHR1 (0.32) CRHR1

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 13 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
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
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 GRM2 4203/4885AR 4419/4885CRHR1 4802/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI GRM2 4203/4885AR 4419/4885CRHR1 4802/4885

“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.