SCHEMBL3928677

SCHEMBL3928677

Cc1c(C(=O)NN2CCCCC2)nc(-c2cccc(C(F)(F)F)c2)n1CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.46
CNR1 P21554 5/20 0.46
CHRM4 P08173 1/20 0.46
TRPV4 Q9HBA0 1/20 0.46
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
GAA P10253 1/20 0.42
MDM2 Q00987 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ADORA1 P30542 1/20 0.41
TP53 P04637 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
ELANE P08246 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
SCHEMBL3919634 0.91 CNR1 (0.47) CNR2CNR1CHRM4TRPV4
SCHEMBL3919284 0.90 CNR1 (0.51) CNR2CNR1MDM2
SCHEMBL3923357 0.88 CNR1 (0.44) CNR2CNR1CHRM4TRPV4
SCHEMBL6466787 0.86 PIN1 (0.47) CNR2CNR1CHRM4TRPV4GRIN1
SCHEMBL3922441 0.84 CNR1 (0.55) CNR2CNR1
SCHEMBL3918367 0.83 CNR1 (0.51) CNR2CNR1
SCHEMBL3919204 0.82 CNR1 (0.43) CNR2CNR1CHRM4ALDH1A1
SCHEMBL3921017 0.81 CNR1 (0.52) CNR2CNR1OPRM1OPRK1
SCHEMBL3930271 0.79 CNR1 (0.46) CNR2CNR1
SCHEMBL3921031 0.78 CNR1 (0.40) CNR2CNR1MDM2

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 CNR2 2/4885CNR1 1/4885CHRM4 176/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR2 2/4885CNR1 1/4885CHRM4 132/4885

“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.