SCHEMBL5046638

SCHEMBL5046638

Cc1cccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nn[nH]n3)c(N(CC3CC3)CC3CC3)nc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.36
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR1 P21453 1/20 0.32
PIK3CD O00329 2/20 0.32
TACR1 P25103 3/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
CXCR4 P61073 1/20 0.30
CMKLR1 Q99788 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
SCHEMBL5623765 0.93 CETP (0.37) CETPALDH1A1L3MBTL1TACR1PTGDR2
SCHEMBL5043483 0.90 ALDH1A1 (0.36) CETPALDH1A1L3MBTL1S1PR1TACR1
SCHEMBL18259018 0.90 CETP (0.36) CETPALDH1A1L3MBTL1TACR1
SCHEMBL14472904 0.89 CETP (0.34) CETPALDH1A1L3MBTL1TACR1AGTR1
SCHEMBL14602966 0.88 TACR1 (0.36) CETPS1PR1PIK3CDTACR1
SCHEMBL5043412 0.85 S1PR1 (0.33) ALDH1A1L3MBTL1S1PR1PIK3CDAGTR1
SCHEMBL14602923 0.85 S1PR1 (0.32) S1PR1PIK3CDTACR1
SCHEMBL14472674 0.85 PIK3CD (0.34) CETPS1PR1PIK3CDTACR1
SCHEMBL14602922 0.85 CETP (0.40) CETP
SCHEMBL14602964 0.84 CRHR1 (0.35) CETPS1PR1PIK3CDTACR1

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 8 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-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 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-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 CETP 1/4885ALDH1A1 3986/4885L3MBTL1 363/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI CETP 1/4885ALDH1A1 3986/4885L3MBTL1 363/4885

“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.