SCHEMBL4133109

SCHEMBL4133109

O=C(NCc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1Cn1cncn1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.45
CNR1 P21554 3/20 0.45
DDR1 Q08345 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL3880057 0.87 CNR1 (0.39) CNR2CNR1DDR1
SCHEMBL3111104 0.86 DDR1 (0.44) CNR2CNR1DDR1HDAC1
SCHEMBL3100296 0.85 DDR1 (0.45) CNR2CNR1DDR1HDAC1
SCHEMBL3114639 0.84 THRB (0.39) CNR2CNR1DDR1
SCHEMBL3107244 0.83 PPARD (0.44) CNR2CNR1DDR1
SCHEMBL3944534 0.81 TRPV1 (0.44) DDR1
SCHEMBL3660685 0.81 PPARD (0.41) CNR2CNR1DDR1
SCHEMBL3115892 0.81 DDR1 (0.43) CNR2CNR1DDR1
SCHEMBL3102420 0.81 CNR1 (0.41) CNR2CNR1DDR1HDAC1
SCHEMBL3110196 0.80 DPP4 (0.48) CNR2CNR1DDR1

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 CNR2 482/4885CNR1 987/4885DDR1 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.