SCHEMBL2771289

SCHEMBL2771289

COc1ccc(F)cc1-c1ccc2[nH]c(C=CC3CCCCC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
CCNT1 O60563 7/20 0.41
CDK9 P50750 7/20 0.41
BRD4 O60885 7/20 0.39
ABL1 P00519 1/20 0.39
AMY1A P0DUB6 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL3750052 1.00 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8CCNT1CDK9
SCHEMBL2770420 0.93 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8CCNT1CDK9
SCHEMBL3745138 0.93 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8CCNT1CDK9
SCHEMBL3755073 0.90 CYP3A4 (0.40) CYP3A4CYP2C9TRPM8CCNT1CDK9
SCHEMBL3755070 0.90 CYP3A4 (0.40) CYP3A4CYP2C9TRPM8CCNT1CDK9
SCHEMBL3746962 0.89 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8BRD4
SCHEMBL2774248 0.89 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8BRD4
SCHEMBL3753378 0.88 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8CCNT1CDK9
SCHEMBL2773647 0.88 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8CCNT1CDK9
SCHEMBL3749608 0.87 CYP3A4 (0.37) CYP3A4CYP2C9TRPM8CCNT1CDK9

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 6 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
WO-2010132247-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO 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
WO-2010132247-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO 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.