SCHEMBL3879970

SCHEMBL3879970

NCc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)nc1CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.43
CNR1 P21554 8/20 0.41
CNR2 P34972 4/20 0.41
DPP4 P27487 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
SLC2A1 P11166 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4513493 0.89 CNR1 (0.45) OPRL1CNR1CNR2NPC1POLB
SCHEMBL4512598 0.83 ALDH1A1 (0.42) OPRL1CNR1CNR2HTTSMN1; SMN2
SCHEMBL3114608 0.79 DPP4 (0.44) DPP4DPP8
SCHEMBL4514685 0.78 HSD17B10 (0.43) OPRL1CNR1CNR2NPC1POLB
SCHEMBL3952036 0.77 CNR1 (0.43) CNR1CNR2MCHR1
SCHEMBL4934709 0.76 DPP4 (0.48) DPP4DPP8
SCHEMBL3878993 0.76 TRPV1 (0.49) CNR1CNR2MCHR1
SCHEMBL3106224 0.75 DPP4 (0.47) CNR1CNR2DPP4
Hydrochloric Acid SCHEMBL4918479 0.75 DPP4 (0.47) DPP4DPP8
SCHEMBL3954111 0.74 DPP4 (0.39) CNR2DPP4

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 OPRL1 1152/4885CNR1 987/4885CNR2 482/4885

“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.