SCHEMBL3924535

SCHEMBL3924535

Cc1c(C(=O)NN2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2Cl)n1C[C@H]1CCCC[C@H]1O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.67
CNR2 P34972 4/20 0.41
CRHR1 P34998 13/20 0.39
TRPV4 Q9HBA0 1/20 0.37
CRHR2 Q13324 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3924564 0.90 CNR1 (0.73) CNR1CNR2CRHR1TRPV4CRHR2
SCHEMBL13717286 0.88 CNR1 (0.73) CNR1CRHR1CRHR2
SCHEMBL13717289 0.88 CNR1 (0.73) CNR1CRHR1CRHR2
SCHEMBL3927443 0.88 CNR1 (0.73) CNR1CRHR1CRHR2
SCHEMBL3927445 0.88 CNR1 (0.73) CNR1CRHR1CRHR2
SCHEMBL3931167 0.87 CNR1 (0.66) CNR1CNR2CRHR1CRHR2
SCHEMBL13602591 0.87 CNR1 (0.84) CNR1CNR2CRHR1CRHR2
SCHEMBL13744797 0.85 CNR1 (0.64) CNR1CNR2CRHR1CRHR2
SCHEMBL3930932 0.85 CNR1 (0.59) CNR1CNR2CRHR1TRPV4
SCHEMBL13745148 0.84 CNR1 (0.63) CNR1CNR2CRHR1TRPV4CRHR2

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 9 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-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-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 2/4885CRHR1 11/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885CNR2 2/4885CRHR1 12/4885

“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.