SCHEMBL3746962

SCHEMBL3746962

COc1ccc(OC)c(-c2ccc3[nH]c(/C=C/C4CCCCC4)nc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
DHFR P00374 1/20 0.42
TDP2 O95551 1/20 0.37
ABCB1 P08183 1/20 0.37
NAAA Q02083 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL2774248 1.00 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8DHFRTDP2
SCHEMBL3742883 0.90 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8ALDH1A1HPGD
SCHEMBL2774398 0.90 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8ALDH1A1HPGD
SCHEMBL2771289 0.89 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8BRD4
SCHEMBL3750052 0.89 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8BRD4
SCHEMBL2773647 0.89 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8ALDH1A1HPGD
SCHEMBL3753378 0.89 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8ALDH1A1HPGD
SCHEMBL3745138 0.84 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8CYP2D6CASP7
SCHEMBL2770420 0.84 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8CYP2D6CASP7
SCHEMBL3756066 0.82 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8NAAAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217060-B2 Benzimidazole derivatives useful as TRP M8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-07-10 US claimed
US-20100292276-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2010-11-18 US claimed
US-8217060-B2 Benzimidazole derivatives useful as TRP M8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-07-10 US disclosed
US-20100292276-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2010-11-18 US 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 (1 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-20100292276-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 CYP3A4 2735/4885CYP2C9 2805/4885TRPM8 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.