SCHEMBL3921026

SCHEMBL3921026

Cc1c(C(=O)NN2CCCCC2)nc(-c2cc(F)cc(C(F)(F)F)c2)n1CCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.44
CNR2 P34972 9/20 0.44
TRPV4 Q9HBA0 1/20 0.40

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
SCHEMBL3923357 0.89 CNR1 (0.44) CNR1CNR2TRPV4
SCHEMBL6467208 0.84 TRPV4 (0.40) TRPV4
SCHEMBL3919634 0.83 CNR1 (0.47) CNR1CNR2TRPV4
SCHEMBL3921311 0.80 CNR1 (0.43) CNR1CNR2
SCHEMBL3917606 0.79 CNR1 (0.49) CNR1CNR2
SCHEMBL3931794 0.78 KDM4E (0.43) CNR1CNR2
SCHEMBL3925402 0.78 CNR1 (0.47) CNR1CNR2
SCHEMBL3928677 0.77 CNR2 (0.46) CNR1CNR2TRPV4
SCHEMBL3919284 0.77 CNR1 (0.51) CNR1CNR2
SCHEMBL3923374 0.76 CNR1 (0.51) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
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-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-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
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 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 (2 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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 CNR1 1/4885CNR2 2/4885TRPV4 348/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885CNR2 2/4885TRPV4 371/4885

“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.