SCHEMBL5624201

SCHEMBL5624201

CCCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 10/20 0.39
GPBAR1 Q8TDU6 2/20 0.38
CRHR1 P34998 2/20 0.37
TACR1 P25103 3/20 0.35
BCHE P06276 1/20 0.35
BACE1 P56817 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL16743068 0.96 CETP (0.38) CETPGPBAR1CRHR1BCHEBACE1
SCHEMBL5625126 0.94 CETP (0.39) CETPGPBAR1TACR1BCHEBACE1
SCHEMBL5625992 0.93 CETP (0.40) CETPGPBAR1TACR1BACE1TRPM8
SCHEMBL16982070 0.93 CETP (0.47) CETP
SCHEMBL19188418 0.90 GPBAR1 (0.40) CETPGPBAR1CRHR1TACR1TRPM8
SCHEMBL16743066 0.90 CETP (0.38) CETPGPBAR1TACR1BCHEBACE1
SCHEMBL19440358 0.89 CETP (0.38) CETPGPBAR1TACR1BACE1TRPM8
SCHEMBL5624969 0.87 CETP (0.47) CETP
SCHEMBL5623604 0.86 CETP (0.47) CETP
SCHEMBL14602925 0.85 GPBAR1 (0.35) CETPGPBAR1TACR1BCHEBACE1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8604055-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2013-12-10 US claimed
EP-1848430-A2 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Reddy US Therapeutics, Inc. (US) 2007-10-31 EP claimed
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 claimed
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-10 US claimed
WO-2006073973-A2 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO claimed
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
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
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-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP 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-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-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-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 (3 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 1/4885GPBAR1 258/4885CRHR1 4802/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI CETP 1/4885GPBAR1 258/4885CRHR1 4802/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC CETP 1/4885GPBAR1 427/4885CRHR1 4536/4885

“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.