SCHEMBL3919243

SCHEMBL3919243

CCCCNC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)n(CCC2CCCCC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
MERTK Q12866 1/20 0.40
ALOX5 P09917 4/20 0.39
EPHX2 P34913 4/20 0.39
CHRM4 P08173 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GCGR P47871 5/20 0.39
CTSS P25774 1/20 0.39
GIPR P48546 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL3928187 0.92 CHRM4 (0.42) KDM4EALDH1A1POLBHDAC3HDAC1
SCHEMBL3919899 0.88 TRPV1 (0.50) KDM4EALDH1A1POLBTRPV1EPHX2
SCHEMBL3929024 0.88 CNR1 (0.43) RXFP1
SCHEMBL27643592 0.84 KDM4E (0.46) KDM4EALDH1A1POLBTRPV1EPHX2
SCHEMBL3931794 0.84 KDM4E (0.43) KDM4EALDH1A1POLBTRPV1EPHX2
SCHEMBL3921311 0.81 CNR1 (0.43) KDM4EALDH1A1POLBEPHX2
SCHEMBL3924519 0.81 HPGD (0.45) ALDH1A1RXFP1
SCHEMBL3918044 0.81 TRPV1 (0.50) KDM4EALDH1A1POLBTRPV1CHRM2
SCHEMBL3930498 0.81 TRPV1 (0.52) KDM4EALDH1A1POLBTRPV1EPHX2
SCHEMBL3916907 0.81 TRPV1 (0.52) KDM4EALDH1A1POLBTRPV1EPHX2

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 13 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-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US 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
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 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 KDM4E 1978/4885ALDH1A1 1464/4885POLB 4490/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 KDM4E 1961/4885ALDH1A1 1498/4885POLB 4470/4885

“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.