SCHEMBL5049265

SCHEMBL5049265

Cc1ccc2ncc(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(NC(C3CC3)C3CC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.37
TACR1 P25103 5/20 0.36
IRAK4 Q9NWZ3 4/20 0.33
MDM2 Q00987 1/20 0.32
CCR2 P41597 2/20 0.31
CTNNB1 P35222 1/20 0.30
TCF7L2 Q9NQB0 1/20 0.30
MAPT P10636 1/20 0.30
PDE5A O76074 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
SCHEMBL5043274 0.87 TACR1 (0.43) GPBAR1TACR1CCR2
SCHEMBL5050193 0.83 TACR1 (0.32) GPBAR1TACR1IRAK4MDM2
SCHEMBL5133794 0.78 CETP (0.36) TACR1MDM2
SCHEMBL5049264 0.78 GPBAR1 (0.37) GPBAR1TACR1IRAK4CCR2MAPT
SCHEMBL5042942 0.78 CETP (0.37)
SCHEMBL14472676 0.77 GPBAR1 (0.37) GPBAR1TACR1IRAK4MAPT
SCHEMBL5043548 0.73 IRAK4 (0.40) IRAK4MAPT
SCHEMBL5625128 0.71 TACR1 (0.38) GPBAR1TACR1MDM2CCR2
SCHEMBL5049261 0.70 TACR1 (0.39) GPBAR1TACR1CCR2
SCHEMBL5046714 0.70 TACR1 (0.41) GPBAR1TACR1MDM2CCR2

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 7 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-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 GPBAR1 258/4885TACR1 4756/4885IRAK4 1344/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI GPBAR1 258/4885TACR1 4756/4885IRAK4 1344/4885

“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.