SCHEMBL5046637

SCHEMBL5046637

O=C(C=Cc1ccccc1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
EGFR P00533 8/20 0.66
MMP1 P03956 7/20 0.66
MMP2 P08253 7/20 0.66
MMP9 P14780 7/20 0.66
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
POLB P06746 1/20 0.65
PKM P14618 1/20 0.65
TRPA1 O75762 2/20 0.61
TRPM8 Q7Z2W7 1/20 0.61
MAOB P27338 3/20 0.60
MAOA P21397 1/20 0.57

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
SCHEMBL5046634 1.00 NPC1 (0.74) NPC1RAB9ASMN1; SMN2EGFRMMP1
SCHEMBL14096607 0.86 KMT2A (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7813844 0.84 ALDH1A1 (0.64) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7813846 0.84 ALDH1A1 (0.64) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10492426 0.84 MMP1 (0.80) NPC1RAB9AEGFRMMP1MMP2
SCHEMBL10492424 0.84 MMP1 (0.80) NPC1RAB9AEGFRMMP1MMP2
N-(2-Fluorophenyl)Cinnamamide SCHEMBL1967609 0.80 MMP1 (1.00) NPC1RAB9AEGFRMMP1MMP2
N-(2-Fluorophenyl)Cinnamamide SCHEMBL1967607 0.80 MMP1 (1.00) NPC1RAB9AEGFRMMP1MMP2
SCHEMBL11873425 0.78 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29505834 0.78 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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-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
CN-101448397-B Selective benzylamine derivatives and their use as cholesteryl ester transfer protein inhibitors REDDYS LAB LTD DR 2013-04-24 CN disclosed
CN-101448397-A Selective benzylamine derivatives and their use as cholesteryl ester transfer protein inhibitors REDDY US THERAPEUTICS INC (US) 2009-06-03 CN 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 NPC1 2/4885RAB9A 1430/4885SMN1; SMN2 3792/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI NPC1 2/4885RAB9A 1430/4885SMN1; SMN2 3792/4885

“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.