SCHEMBL3878993

SCHEMBL3878993

O=C(NCc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)nc1CN1CCCC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.49
MCHR1 Q99705 3/20 0.47
ACHE P22303 1/20 0.45
DDR1 Q08345 5/20 0.42
EPHX2 P34913 4/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
GCGR P47871 2/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40

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
SCHEMBL3881840 0.88 MCHR1 (0.47) MCHR1DDR1EPHX2CHRM1CNR1
SCHEMBL4913349 0.86 TRPV1 (0.52) TRPV1DDR1EPHX2NR1H4GCGR
SCHEMBL3944534 0.82 TRPV1 (0.44) TRPV1DDR1EPHX2NR1H4GCGR
SCHEMBL3952036 0.79 CNR1 (0.43) MCHR1CNR1CNR2
SCHEMBL3110196 0.77 DPP4 (0.48) DDR1EPHX2NR1H4GCGRCNR1
SCHEMBL3879970 0.76 OPRL1 (0.43) MCHR1CNR1CNR2
SCHEMBL4513493 0.76 CNR1 (0.45) MCHR1CNR1CNR2
SCHEMBL3111640 0.75 CNR1 (0.44) DDR1EPHX2NR1H4GCGRCNR1
SCHEMBL3113188 0.74 PPARD (0.44) DDR1EPHX2NR1H4GCGRCNR1
SCHEMBL3107295 0.74 CNR1 (0.47) DDR1EPHX2NR1H4GCGRCNR1

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 824/4885MCHR1 3441/4885ACHE 45/4885

“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.