SCHEMBL3916541

SCHEMBL3916541

Cc1c(C(=O)O)cc(-c2cc(C(F)(F)F)ccc2Cl)n1CC1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.73
CNR2 P34972 3/20 0.47
NOTUM Q6P988 1/20 0.46
CRHR1 P34998 12/20 0.42
PTGER1 P34995 1/20 0.42
CRHR2 Q13324 2/20 0.41
MDM2 Q00987 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 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
SCHEMBL3928875 0.90 CNR1 (0.60) CNR1CNR2NOTUMCRHR1PTGER1
SCHEMBL3930605 0.89 CNR1 (0.59) CNR1CNR2NOTUMPTGER1HTR2A
SCHEMBL3922373 0.89 CNR1 (0.59) CNR1CNR2NOTUMPTGER1MDM2
SCHEMBL3931167 0.88 CNR1 (0.66) CNR1CNR2CRHR1CRHR2MDM2
SCHEMBL3919185 0.88 CNR1 (0.81) CNR1CRHR1CRHR2
SCHEMBL3928189 0.86 CNR1 (0.55) CNR1NOTUMCRHR1PTGER1HTR2A
SCHEMBL3924564 0.86 CNR1 (0.73) CNR1CNR2CRHR1CRHR2HTR2A
SCHEMBL3927712 0.86 CNR1 (0.78) CNR1CRHR1CRHR2
SCHEMBL3920795 0.86 CNR1 (0.55) CNR1CNR2NOTUMCRHR1
SCHEMBL4372616 0.85 CNR1 (0.56) 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 13 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 claimed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US claimed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US claimed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP claimed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US claimed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO 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 2/4885NOTUM 3125/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885CNR2 2/4885NOTUM 3512/4885

“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.