SCHEMBL5046166

SCHEMBL5046166

Cc1cccc2cc(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C(CN)CC3CCC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TACR1 P25103 3/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
PIK3CD O00329 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
IDE P14735 1/20 0.32
PAX8 Q06710 1/20 0.32
CCR2 P41597 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL5627070 0.86 TACR1 (0.40) TACR1GPBAR1CCR2
SCHEMBL5623686 0.84 TACR1 (0.40) TACR1GPBAR1IDECCR2
SCHEMBL5623662 0.82 TACR1 (0.41) TACR1GPBAR1CCR2
SCHEMBL5042819 0.80 CETP (0.35)
SCHEMBL5623804 0.77 TACR1 (0.31) TACR1GPBAR1
SCHEMBL4234307 0.77 GPBAR1 (0.37) TACR1GPBAR1KMT2AMEN1IDE
SCHEMBL5628380 0.77 TACR1 (0.33) TACR1GPBAR1IDECCR2
SCHEMBL5046163 0.77 DRD4 (0.40) DRD4DRD3L3MBTL1TACR1GPBAR1
SCHEMBL5624607 0.76 BCDIN3D (0.33) TACR1IDE
SCHEMBL4497785 0.76 TACR1 (0.40) TACR1GPBAR1CCR2

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 DRD4 3812/4885DRD3 3802/4885L3MBTL1 363/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI DRD4 3812/4885DRD3 3802/4885L3MBTL1 363/4885

“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.