SCHEMBL3944534

SCHEMBL3944534

O=C(NCc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1Cn1cnnn1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.44
DDR1 Q08345 4/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
GCGR P47871 7/20 0.38
GIPR P48546 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37
BTK Q06187 1/20 0.36
RIPK1 Q13546 1/20 0.36
MARS1 P56192 1/20 0.36
KLKB1 P03952 1/20 0.35

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
SCHEMBL3878993 0.82 TRPV1 (0.49) TRPV1DDR1EPHX2NR1H4GCGR
SCHEMBL4133109 0.81 CNR2 (0.45) DDR1
SCHEMBL4913349 0.80 TRPV1 (0.52) TRPV1DDR1EPHX2NR1H4GCGR
SCHEMBL3880057 0.79 CNR1 (0.39) DDR1EPHX2NR1H4GCGR
SCHEMBL3111104 0.77 DDR1 (0.44) DDR1EPHX2NR1H4GCGR
SCHEMBL3100296 0.77 DDR1 (0.45) DDR1EPHX2NR1H4GCGR
SCHEMBL3107244 0.76 PPARD (0.44) DDR1EPHX2NR1H4GCGR
SCHEMBL3114639 0.76 THRB (0.39) DDR1EPHX2
SCHEMBL3113811 0.75 KCNK2 (0.40) TRPV1DDR1EPHX2NR1H4GCGR
SCHEMBL3115892 0.74 DDR1 (0.43) DDR1EPHX2NR1H4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS 2009-08-13 US disclosed
EP-2010492-A2 AMINOMETHYL PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-01-07 EP disclosed
WO-2007119001-A2 AMINOMETHYL PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-10-25 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 (1 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-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF TPMT, QDPR, HNMT TRPV1 824/4885DDR1 4853/4885EPHX2 1121/4885

“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.