SCHEMBL5624607

SCHEMBL5624607

Cc1nn(C)c2nc(C(CN)CC3CCCC3)c(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 2/20 0.33
APAF1 O14727 2/20 0.32
UBE2N P61088 2/20 0.32
IDE P14735 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TACR1 P25103 2/20 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
SCHEMBL5623804 0.82 TACR1 (0.31) TACR1
SCHEMBL5624903 0.81 CETP (0.35)
SCHEMBL5624458 0.80
SCHEMBL5624482 0.79 CETP (0.35)
SCHEMBL5623911 0.79
SCHEMBL4234307 0.78 GPBAR1 (0.37) APAF1UBE2NIDERECQLNPSR1
SCHEMBL5624600 0.77 APAF1 (0.33) BCDIN3DAPAF1UBE2NIDERECQL
SCHEMBL5623686 0.77 TACR1 (0.40) APAF1UBE2NIDERECQLNPSR1
SCHEMBL5628380 0.77 TACR1 (0.33) APAF1UBE2NIDERECQLNPSR1
SCHEMBL5624398 0.77 CETP (0.35)

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 9 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
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

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 BCDIN3D 453/4885APAF1 2046/4885UBE2N 1479/4885
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP BCDIN3D 1145/4885APAF1 2136/4885UBE2N 1404/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI BCDIN3D 453/4885APAF1 2046/4885UBE2N 1479/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC BCDIN3D 263/4885APAF1 1111/4885UBE2N 2843/4885

“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.