SCHEMBL1986377

SCHEMBL1986377

NC(=O)C1(c2ccc(Cl)cc2)CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2CCO)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
CHRNA7 P36544 2/20 0.38
TACR2 P21452 3/20 0.35
TACR1 P25103 3/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
IP6K1 Q92551 1/20 0.35
ALPL P05186 1/20 0.34

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
SCHEMBL1128283 0.96 CNR1 (0.46) CNR1CNR2CHRNA7TACR2TACR1
SCHEMBL1128277 0.95 CNR1 (0.39) CNR1CNR2CHRNA7TACR2TACR1
SCHEMBL1988809 0.94 CNR1 (0.39) CNR1CNR2CHRNA7TACR2TACR1
SCHEMBL1987975 0.93 CNR1 (0.37) CNR1CNR2CHRNA7TACR2TACR1
SCHEMBL1983850 0.91 CNR1 (0.45) CNR1CNR2CHRNA7TACR2TACR1
SCHEMBL1986474 0.90 CNR1 (0.44) CNR1CNR2CHRNA7TACR2TACR1
SCHEMBL1987792 0.89 NPC1 (0.36) CNR1CNR2TACR2TACR1
SCHEMBL1991445 0.89 CNR1 (0.37) CNR1CNR2CHRNA7TACR2TACR1
SCHEMBL1987894 0.88 CNR1 (0.45) CNR1CNR2CHRNA7TACR2TACR1
SCHEMBL1984654 0.87 CNR1 (0.44) CNR1CNR2CHRNA7TACR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680102-B2 Pyrrole derivatives, their preparation and their therapeutic application SANOFI (FR) 2014-03-25 US disclosed
US-8680102-B2 Pyrrole derivatives, their preparation and their therapeutic application SANOFI (FR) 2014-03-25 US disclosed
US-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-06-23 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-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885CHRNA7 248/4885

“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.