SCHEMBL13717552

SCHEMBL13717552

Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2F)n1CC1CCCCC1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.83
CNR2 P34972 3/20 0.43
CRHR1 P34998 11/20 0.40
CHRM1 P11229 3/20 0.40
CRHR2 Q13324 2/20 0.39
RORC P51449 1/20 0.38

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
SCHEMBL13717181 1.00 CNR1 (0.83) CNR1CNR2CRHR1CHRM1CRHR2
SCHEMBL13602503 1.00 CNR1 (0.83) CNR1CNR2CRHR1CHRM1CRHR2
SCHEMBL13717094 0.97 CNR1 (0.79) CNR1CNR2CRHR1CHRM1CRHR2
SCHEMBL13602727 0.92 CNR1 (0.84) CNR1CNR2CRHR1CHRM1CRHR2
SCHEMBL13717645 0.91 CNR1 (0.70) CNR1CNR2CRHR1CHRM1
SCHEMBL13717457 0.91 CNR1 (1.00) CNR1CNR2CRHR1CRHR2
SCHEMBL13717052 0.91 CNR1 (1.00) CNR1CNR2CRHR1CRHR2
SCHEMBL13717281 0.91 CNR1 (1.00) CNR1CNR2CRHR1CRHR2
SCHEMBL3928194 0.89 CNR1 (0.66) CNR1CNR2CRHR1CRHR2RORC
SCHEMBL13602716 0.89 CNR1 (0.66) CNR1CNR2CHRM1RORC

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 2/4885CRHR1 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.