SCHEMBL3928875

SCHEMBL3928875

Cc1ccc(C(F)(F)F)cc1-c1cc(C(=O)O)c(C)n1CC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.60
NOTUM Q6P988 2/20 0.47
CNR2 P34972 7/20 0.46
PTGER1 P34995 1/20 0.43
LIPC P11150 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CRHR1 P34998 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
TAS2R14 Q9NYV8 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
SCHEMBL3930605 0.91 CNR1 (0.59) CNR1NOTUMCNR2PTGER1LIPC
SCHEMBL3922373 0.91 CNR1 (0.59) CNR1NOTUMCNR2PTGER1LIPC
SCHEMBL3916541 0.90 CNR1 (0.73) CNR1NOTUMCNR2PTGER1HTR2A
SCHEMBL6465320 0.86 CNR1 (0.53) CNR1NOTUMCNR2HTR2AHTR2C
SCHEMBL3919785 0.86 NOTUM (0.50) CNR1NOTUMOPRM1OPRL1HTR2A
SCHEMBL3931804 0.86 CNR1 (0.61) CNR1CNR2OPRM1OPRL1HTR2A
SCHEMBL3919267 0.85 CNR1 (0.52) CNR1NOTUMCNR2PTGER1LIPC
SCHEMBL13602727 0.84 CNR1 (0.84) CNR1CNR2CRHR1
SCHEMBL3923408 0.84 NOTUM (0.50) CNR1NOTUMPTGER1OPRM1OPRL1
SCHEMBL13745198 0.83 CNR1 (0.58) CNR1CNR2HTR2AHTR2CSLC6A4

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 16 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
CN-100395234-C Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-06-18 CN claimed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US claimed
CN-1735593-A Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN claimed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 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
CN-100395234-C Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-06-18 CN 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
CN-101012193-A Novel CB 1 receptour inverse agonists HOFFMANN LA ROCHE (CH) 2007-08-08 CN disclosed
CN-1735593-A Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN 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 1/4885NOTUM 3125/4885CNR2 2/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885NOTUM 3512/4885CNR2 2/4885

“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.