SCHEMBL5802941

SCHEMBL5802941

FC(F)(F)c1cc(CNCc2cc3ccccc3nc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.52
MAPT P10636 1/20 0.52
GPBAR1 Q8TDU6 2/20 0.49
KMT2A Q03164 1/20 0.49
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RHOC P08134 2/20 0.42
RHOA P61586 2/20 0.42
HTT P42858 1/20 0.37

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
SCHEMBL15706641 0.93 MAPT (0.48) TACR1MAPTGPBAR1KMT2ADRD4
SCHEMBL5666117 0.80 MAPT (0.38) TACR1MAPTGPBAR1DRD4DRD3
SCHEMBL28250231 0.76 KMT2A (0.54) MAPTKMT2AHTT
SCHEMBL3387987 0.75 KMT2A (0.60) MAPTKMT2ADRD4DRD3L3MBTL1
SCHEMBL19188657 0.74 TACR1 (0.46) TACR1MAPTGPBAR1DRD4DRD3
SCHEMBL13436122 0.74 TACR1 (0.62) TACR1GPBAR1KMT2A
SCHEMBL5623657 0.73 TACR1 (0.41) TACR1GPBAR1
SCHEMBL5626481 0.73 TACR1 (0.41) TACR1GPBAR1
SCHEMBL5623662 0.73 TACR1 (0.41) TACR1GPBAR1
SCHEMBL5626315 0.73 CYP2C19 (0.40) TACR1GPBAR1

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 16 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-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
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed
CN-103102303-B As the benzyl amine derivative of CETP inhibitor DR. REDDY'S LABORATORIES LTD. (IN) 2015-10-28 CN 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-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-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
CN-103102303-A Benzylamine derivatives as CETP inhibitors REDDY US THERAPEUTICS INC 2013-05-15 CN 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
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 4756/4885MAPT 1275/4885GPBAR1 258/4885
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP TACR1 4064/4885MAPT 1174/4885GPBAR1 120/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI TACR1 4756/4885MAPT 1275/4885GPBAR1 258/4885

“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.