SCHEMBL4486981

SCHEMBL4486981

ClCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.50
CNR2 P34972 2/20 0.50
DPP4 P27487 1/20 0.42
HSD11B1 P28845 1/20 0.39
OPRL1 P41146 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 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
SCHEMBL4477253 0.87 DPP4 (0.50) CNR1CNR2DPP4
SCHEMBL4559521 0.87 CNR1 (0.52) CNR1CNR2DPP4
SCHEMBL4480277 0.79 ALDH1A1 (0.51) CNR1CNR2
SCHEMBL5043907 0.76 CNR1 (0.65) CNR1CNR2
SCHEMBL2847142 0.73 AHR (0.40) CNR1CNR2DPP4HSD11B1
SCHEMBL4477519 0.72 CNR1 (0.57) CNR1CNR2
SCHEMBL4911607 0.69 HSD11B1 (0.43) DPP4HSD11B1OPRL1
SCHEMBL5041885 0.68 CNR1 (0.60) CNR1CNR2
SCHEMBL2933108 0.67 AHR (0.67) HSD11B1
SCHEMBL2850192 0.67 ESR1 (0.41) CNR1CNR2HSD11B1

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 2 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

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 CNR1 12/4885CNR2 38/4885DPP4 1868/4885

“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.