SCHEMBL3919645

SCHEMBL3919645

Cc1c(C(=O)O)nc(-c2cc(Cl)ccc2F)n1CCC1CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.37
CNR2 P34972 5/20 0.37
MDM2 Q00987 8/20 0.37
CHRM3 P20309 2/20 0.37
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
OPRL1 P41146 1/20 0.36
MCHR1 Q99705 1/20 0.35
CRHR1 P34998 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3916533 0.85 MDM2 (0.41) CNR1CNR2MDM2
SCHEMBL3931022 0.83 CNR1 (0.43) CNR1CNR2MDM2CRHR1
SCHEMBL5570347 0.82 NAMPT (0.41) CNR1CNR2OPRL1
SCHEMBL13602743 0.81 CRHR1 (0.37) MDM2CHRM3HTR2ADRD3OPRL1
SCHEMBL3922942 0.74 ALOX5 (0.44) CNR1CNR2MDM2OPRL1KCNH2
SCHEMBL3919312 0.74 CNR1 (0.55) CNR1CNR2
SCHEMBL3919308 0.74 CNR1 (0.55) CNR1CNR2
SCHEMBL6467208 0.73 TRPV4 (0.40) MDM2OPRL1
SCHEMBL28755584 0.72 MDM2 (0.44) CNR1CNR2MDM2MCHR1
SCHEMBL3922705 0.72 ALOX5 (0.44) CNR1CNR2MDM2OPRL1KCNH2

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 5 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-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
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 (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 2/4885MDM2 4573/4885

“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.