SCHEMBL3920795

SCHEMBL3920795

Cc1c(C(=O)O)cc(-c2cc(C(F)(F)F)ccc2Cl)n1CCC1CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.55
CNR2 P34972 1/20 0.44
TRPV4 Q9HBA0 3/20 0.43
LIPG Q9Y5X9 3/20 0.42
LIPC P11150 1/20 0.42
NOTUM Q6P988 1/20 0.42
CRHR1 P34998 11/20 0.42
LPL P06858 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
SCHEMBL13745416 0.91 CNR1 (0.54) CNR1CNR2TRPV4CRHR1
SCHEMBL3923369 0.88 TRPV4 (0.43) CNR1TRPV4LIPGLIPCNOTUM
SCHEMBL3916541 0.86 CNR1 (0.73) CNR1CNR2NOTUMCRHR1
SCHEMBL3930932 0.84 CNR1 (0.59) CNR1CNR2TRPV4CRHR1
SCHEMBL13744981 0.83 CNR1 (0.54) CNR1TRPV4CRHR1
SCHEMBL13717174 0.83 CNR1 (0.81) CNR1CNR2CRHR1
SCHEMBL3931167 0.82 CNR1 (0.66) CNR1CNR2CRHR1
SCHEMBL4372621 0.81 CNR1 (0.56) CNR1CNR2
SCHEMBL4372616 0.81 CNR1 (0.56) CNR1CNR2
SCHEMBL3919267 0.79 CNR1 (0.52) CNR1CNR2LIPGLIPCNOTUM

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 8 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 claimed
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-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
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO 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.