SCHEMBL4512598

SCHEMBL4512598

O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)nc1CN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR1A P08908 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CACNA1G O43497 1/20 0.39
GRM5 P41594 1/20 0.39
OPRL1 P41146 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 0.83 CNR1 (0.45) MAPK1CNR1CNR2HTTSMN1; SMN2
SCHEMBL3879970 0.83 OPRL1 (0.43) MAPK1CNR1CNR2HTTSMN1; SMN2
SCHEMBL3109826 0.79 GRM5 (0.38) ALDH1A1MAPTCNR1GRM5
SCHEMBL4480277 0.74 ALDH1A1 (0.51) ALDH1A1MAPTTSHRCNR1CNR2
SCHEMBL3952036 0.73 CNR1 (0.43) CNR1CNR2
SCHEMBL4514685 0.72 HSD17B10 (0.43) MAPTTSHRCNR1CNR2SMN1; SMN2
SCHEMBL3878993 0.70 TRPV1 (0.49) CNR1CNR2
SCHEMBL3881840 0.70 MCHR1 (0.47) CNR1CNR2
SCHEMBL3114639 0.69 THRB (0.39) ALDH1A1MAPTCNR1CNR2GRM5
SCHEMBL19835670 0.68 ALDH1A1 (0.46) ALDH1A1MAPTTSHRHTR1A

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 1 patent. 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

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 ALDH1A1 388/4885MAPT 1642/4885TSHR 4190/4885

“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.