SCHEMBL3881840

SCHEMBL3881840

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.47
EPHX2 P34913 1/20 0.41
DDR1 Q08345 1/20 0.41
CNR1 P21554 7/20 0.40
CNR2 P34972 2/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
CHRM4 P08173 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
KCNK2 O95069 1/20 0.38
KCNK10 P57789 1/20 0.38

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 0.88 TRPV1 (0.49) MCHR1EPHX2DDR1CNR1CNR2
SCHEMBL3106128 0.85 CNR1 (0.40) EPHX2CNR1SCN2ASCN10AKCNK2
SCHEMBL3113811 0.83 KCNK2 (0.40) MCHR1EPHX2DDR1CNR1KCNK2
SCHEMBL3115945 0.83 KCNK2 (0.39) EPHX2DDR1CNR1KCNK2KCNK10
SCHEMBL3111493 0.82 CNR1 (0.36) EPHX2DDR1CNR1KCNK2KCNK10
SCHEMBL3658814 0.82 KCNK2 (0.41) EPHX2DDR1CNR1CNR2KCNK2
SCHEMBL3116597 0.81 KCNK2 (0.40) EPHX2DDR1KCNK2KCNK10
SCHEMBL3114225 0.81 DDR1 (0.38) EPHX2DDR1CNR1KCNK2KCNK10
SCHEMBL3103535 0.80 KCNK2 (0.39) EPHX2DDR1KCNK2KCNK10
SCHEMBL3110314 0.79 DDR1 (0.38) EPHX2DDR1CNR1KCNK2KCNK10

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 MCHR1 3441/4885EPHX2 1121/4885DDR1 4853/4885

“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.