SCHEMBL13716976

SCHEMBL13716976

Cc1ccc(Cl)cc1-c1nc(C(=O)NCCC(F)(F)F)c(C)n1CCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.43
CNR2 P34972 5/20 0.43
MDM2 Q00987 1/20 0.39
CHRM4 P08173 1/20 0.37
KIT P10721 1/20 0.37
MAPK14 Q16539 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL13716980 0.93 CNR1 (0.45) CNR1CNR2CHRM4
SCHEMBL13602493 0.92 CNR1 (0.41) CNR1CNR2MDM2CHRM1
SCHEMBL3919308 0.87 CNR1 (0.55) CNR1CNR2
SCHEMBL3919312 0.87 CNR1 (0.55) CNR1CNR2
SCHEMBL13602622 0.85 CNR1 (0.43) CNR1CNR2
SCHEMBL3916533 0.83 MDM2 (0.41) CNR1CNR2MDM2
SCHEMBL3930517 0.83 CNR1 (0.52) CNR1CNR2
SCHEMBL13716948 0.82 P2RX7 (0.37) CNR1CNR2MDM2KITMAPK14
SCHEMBL3924570 0.80 CNR1 (0.58) CNR1CNR2
SCHEMBL3922930 0.80 MAPK14 (0.40) CNR1CNR2MDM2KITMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 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-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885CNR2 2/4885MDM2 4573/4885

“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.