SCHEMBL3922942

SCHEMBL3922942

Cc1ccc(Cl)cc1-c1nc(C(=O)O)c(C)n1CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
MAPT P10636 2/20 0.40
MDM2 Q00987 5/20 0.40
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
PTGER1 P34995 2/20 0.38
NOTUM Q6P988 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2C P28335 1/20 0.38
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
GHSR Q92847 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 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
SCHEMBL3922705 0.91 ALOX5 (0.44) ALOX5MAPTMDM2CNR1CNR2
SCHEMBL3916533 0.89 MDM2 (0.41) ALOX5MDM2CNR1CNR2PTGER1
SCHEMBL3921306 0.87 ABL1 (0.40) MAPTMDM2NOTUMCYP2D6GHSR
SCHEMBL3921571 0.85 CNR1 (0.53) CNR1CNR2
SCHEMBL3931105 0.83 CNR1 (0.42) ALOX5CNR1CNR2HTR2C
SCHEMBL13602493 0.82 CNR1 (0.41) ALOX5MDM2CNR1CNR2HTR2C
SCHEMBL3931022 0.81 CNR1 (0.43) ALOX5MDM2CNR1CNR2PDE4B
SCHEMBL4375154 0.79 PTGER1 (0.43) MAPTCNR1CNR2PTGER1CYP3A4
SCHEMBL3923408 0.79 NOTUM (0.50) ALOX5MAPTCNR1PTGER1NOTUM
SCHEMBL3919299 0.79 CNR1 (0.59) CNR1CNR2PDE4BPDE4D

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 1729/4885MAPT 4278/4885MDM2 4827/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 ALOX5 2342/4885MAPT 3966/4885MDM2 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.