SCHEMBL3916533

SCHEMBL3916533

Cc1ccc(Cl)cc1-c1nc(C(=O)O)c(C)n1CCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.41
CNR1 P21554 5/20 0.41
CNR2 P34972 5/20 0.41
LDLR P01130 4/20 0.38
PTGER1 P34995 1/20 0.37
BACE1 P56817 1/20 0.36
ALOX5 P09917 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36

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
SCHEMBL3931022 0.92 CNR1 (0.43) MDM2CNR1CNR2BACE1ALOX5
SCHEMBL3922942 0.89 ALOX5 (0.44) MDM2CNR1CNR2PTGER1ALOX5
SCHEMBL3919308 0.88 CNR1 (0.55) CNR1CNR2
SCHEMBL3919312 0.88 CNR1 (0.55) CNR1CNR2
SCHEMBL3930517 0.86 CNR1 (0.52) CNR1CNR2
SCHEMBL3919645 0.85 CNR1 (0.37) MDM2CNR1CNR2
SCHEMBL13716976 0.83 CNR1 (0.43) MDM2CNR1CNR2
SCHEMBL13602718 0.83 CNR1 (0.44) MDM2CNR1CNR2
SCHEMBL3922705 0.81 ALOX5 (0.44) MDM2CNR1CNR2PTGER1ALOX5
SCHEMBL3924570 0.80 CNR1 (0.58) 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 7 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-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 MDM2 4827/4885CNR1 1/4885CNR2 2/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 MDM2 4573/4885CNR1 1/4885CNR2 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.