SCHEMBL3931097

SCHEMBL3931097

COc1ccccc1Cn1c(-c2ccccc2OC)nc(C(=O)NC2CCCCC2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
GAA P10253 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.47
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
INSR P06213 1/20 0.46
LCK P06239 1/20 0.46
FGFR1 P11362 1/20 0.46

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
SCHEMBL3931800 0.88 CNR1 (0.53) CNR1GAARAB9ANPC1LMNA
SCHEMBL3929128 0.87 CNR1 (0.53) CNR1GAARAB9ANPC1LMNA
SCHEMBL3921024 0.87 CNR1 (0.53) CNR1GAARAB9ANPC1LMNA
SCHEMBL3918061 0.86 CNR1 (0.52) CNR1GAARAB9ANPC1LMNA
SCHEMBL3930594 0.86 MAPT (0.49) CNR1GAARAB9ANPC1LMNA
SCHEMBL3931761 0.75 ALDH1A1 (0.42) CNR1GAASMN1; SMN2ALDH1A1
SCHEMBL3929150 0.75 CNR1 (0.42) CNR1GAAMEN1KMT2A
SCHEMBL3922484 0.75 CNR1 (0.53) CNR1GAALMNASMN1; SMN2MEN1
SCHEMBL3928208 0.75 CNR1 (0.53) CNR1GAALMNASMN1; SMN2MEN1
SCHEMBL3924452 0.75 ALDH1A1 (0.46) CNR1GAALMNASMN1; SMN2TP53

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 10 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
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-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 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 CNR1 1/4885GAA 4346/4885RAB9A 976/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885GAA 4342/4885RAB9A 790/4885

“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.