SCHEMBL5653368

SCHEMBL5653368

CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)co1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.31
CXCR4 P61073 1/20 0.31
CMKLR1 Q99788 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
TACR2 P21452 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
SCHEMBL16743086 0.95 DHFR (0.31) TRPM8
SCHEMBL5623981 0.94 TRPM8 (0.32) TACR1CXCR4CMKLR1TRPM8TACR2
SCHEMBL15981333 0.91 TACR1 (0.30) TACR1CXCR4CMKLR1
SCHEMBL17414270 0.90 DHFR (0.31) TRPM8
SCHEMBL15739471 0.87 CXCR4 (0.32) TACR1CXCR4CMKLR1TACR2
SCHEMBL18636587 0.87
SCHEMBL5623846 0.86 CXCR4 (0.34) TACR1CXCR4CMKLR1TRPM8
SCHEMBL5624474 0.85 TACR1 (0.33) TACR1TRPM8TACR2
SCHEMBL18636740 0.84
SCHEMBL5624548 0.83 TACR1 (0.32) TACR1

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
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-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-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-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-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 TACR1 4756/4885CXCR4 2313/4885CMKLR1 2455/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI TACR1 4756/4885CXCR4 2313/4885CMKLR1 2455/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC TACR1 4150/4885CXCR4 3079/4885CMKLR1 1937/4885

“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.