SCHEMBL5624067

SCHEMBL5624067

NCC(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1nn[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.38
CYSLTR2 Q9NS75 5/20 0.35
CYSLTR1 Q9Y271 5/20 0.35
FFAR2 O15552 1/20 0.35
CXCR4 P61073 1/20 0.31
CMKLR1 Q99788 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL5624144 0.86
SCHEMBL5624541 0.85 TACR1 (0.40) TACR1
SCHEMBL27901998 0.83 TACR1 (0.42) TACR1CYSLTR2CYSLTR1FFAR2KEAP1
SCHEMBL5624303 0.82 TACR1 (0.40) TACR1
SCHEMBL5623741 0.81
SCHEMBL5624479 0.80 CXCR4 (0.33) TACR1CXCR4
SCHEMBL5624064 0.79 TACR1 (0.38) TACR1CYSLTR2CYSLTR1FFAR2CXCR4
SCHEMBL5626274 0.78 CXCR4 (0.32) TACR1CXCR4
SCHEMBL4508861 0.78 CETP (0.32) TACR1CXCR4CMKLR1
SCHEMBL5623849 0.77 SGMS1 (0.30) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-08-06 US disclosed
US-9040558-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-05-26 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-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 (4 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 4756/4885CYSLTR2 3162/4885CYSLTR1 3050/4885
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP TACR1 4064/4885CYSLTR2 2570/4885CYSLTR1 2190/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI TACR1 4756/4885CYSLTR2 3162/4885CYSLTR1 3050/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC TACR1 4150/4885CYSLTR2 2244/4885CYSLTR1 2292/4885

“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.