SCHEMBL3918044

SCHEMBL3918044

Cc1c(C(=O)NC2CC2)nc(-c2ccc(OC(F)(F)F)cc2)n1CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
EPHX2 P34913 3/20 0.44
EPHX1 P07099 1/20 0.44
CHRM4 P08173 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MCHR1 Q99705 1/20 0.42
CNR1 P21554 3/20 0.42
CNR2 P34972 1/20 0.42
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
HPGDS O60760 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
SSTR5 P35346 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3930498 0.98 TRPV1 (0.52) TRPV1EPHX2EPHX1CHRM4ALDH1A1
SCHEMBL3916907 0.98 TRPV1 (0.52) TRPV1EPHX2EPHX1CHRM4ALDH1A1
SCHEMBL3919899 0.92 TRPV1 (0.50) TRPV1EPHX2EPHX1ALDH1A1KDM4E
SCHEMBL3928187 0.87 CHRM4 (0.42) TRPV1EPHX2CHRM4ALDH1A1KDM4E
SCHEMBL28758204 0.87 CNR1 (0.45) CHRM4ALDH1A1KDM4EPOLBCNR1
SCHEMBL3919204 0.87 CNR1 (0.43) EPHX2CHRM4ALDH1A1KDM4EPOLB
SCHEMBL3921502 0.84 CNR1 (0.53) POLBCNR1CNR2MEN1LMNA
SCHEMBL13602560 0.83 NPC1 (0.46) ALDH1A1CNR1CNR2CYP2D6MEN1
SCHEMBL13716924 0.82 ALDH1A1 (0.58) EPHX2EPHX1ALDH1A1KDM4ECNR1
SCHEMBL3919243 0.81 KDM4E (0.42) TRPV1EPHX2CHRM4ALDH1A1KDM4E

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
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US claimed
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 TRPV1 103/4885EPHX2 822/4885EPHX1 537/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 TRPV1 100/4885EPHX2 870/4885EPHX1 511/4885

“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.