SCHEMBL3922705

SCHEMBL3922705

Cc1cc(Cl)ccc1-c1nc(C(=O)O)c(C)n1CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
CNR2 P34972 6/20 0.42
CNR1 P21554 5/20 0.42
NOTUM Q6P988 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
MAPT P10636 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2C P28335 1/20 0.38
MDM2 Q00987 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
GHSR Q92847 1/20 0.37
PDE4D Q08499 1/20 0.37
PTGER1 P34995 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 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
SCHEMBL3922942 0.91 ALOX5 (0.44) ALOX5CNR2CNR1NOTUMPDE4B
SCHEMBL3931022 0.89 CNR1 (0.43) ALOX5CNR2CNR1PDE4APDE4B
SCHEMBL3919299 0.87 CNR1 (0.59) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL3921565 0.83 CNR1 (0.44) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL13602622 0.82 CNR1 (0.43) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL3916533 0.81 MDM2 (0.41) ALOX5CNR2CNR1MDM2PTGER1
SCHEMBL3921306 0.80 ABL1 (0.40) NOTUMMAPTCYP2D6MDM2GHSR
SCHEMBL3925461 0.79 NOTUM (0.50) ALOX5CNR2CNR1NOTUMMAPT
SCHEMBL3920234 0.79 CNR1 (0.55) CNR2CNR1MDM2PTGER1
SCHEMBL3924570 0.78 CNR1 (0.58) CNR2CNR1PDE4APDE4BPDE4C

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 ALOX5 1729/4885CNR2 2/4885CNR1 1/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 ALOX5 2342/4885CNR2 2/4885CNR1 1/4885

“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.