SCHEMBL4477253

SCHEMBL4477253

NCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
CYP3A4 P08684 1/20 0.42
DPP8 Q6V1X1 1/20 0.41

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
SCHEMBL4486981 0.87 CNR1 (0.50) DPP4CNR1CNR2
SCHEMBL4559521 0.86 CNR1 (0.52) DPP4CNR1CNR2
SCHEMBL4480277 0.77 ALDH1A1 (0.51) CNR1CNR2
SCHEMBL5043907 0.75 CNR1 (0.65) CNR1CNR2
SCHEMBL5263967 0.74 DPP4 (0.43) DPP4DPP8
Hydrochloric Acid SCHEMBL2840745 0.72 DPP4 (0.42) DPP4DPP8
SCHEMBL5276319 0.72 DPP4 (0.44) DPP4DPP8
SCHEMBL4477519 0.71 CNR1 (0.57) CNR1CNR2
Hydrochloric Acid SCHEMBL2842001 0.71 DPP4 (0.43) DPP4DPP8
SCHEMBL5041885 0.70 CNR1 (0.60) CNR1CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618991-B2 Heterocyclic derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-11-17 US disclosed
US-20080269303-A1 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
EP-1966173-A2 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-09-10 EP disclosed
WO-2007068815-A2 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-21 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-20080269303-A1 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, NQO1 DPP4 1868/4885CNR1 12/4885CNR2 38/4885

“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.