SCHEMBL3743357

SCHEMBL3743357

Cc1cc(-c2ccccc2OC(F)(F)F)cc2nc(/C=C/C3CCCCC3)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.51
CYP3A4 P08684 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
S1PR1 P21453 6/20 0.40
SCN9A Q15858 4/20 0.37
TRPA1 O75762 1/20 0.36
ABL1 P00519 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ACP1 P24666 1/20 0.33
PLAT P00750 1/20 0.33

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
SCHEMBL3743359 1.00 CYP2C9 (0.51) CYP2C9CYP3A4TRPM8S1PR1SCN9A
SCHEMBL3745289 0.87 CYP2C9 (0.68) CYP2C9CYP3A4TRPM8TRPA1TRPV1
SCHEMBL3745288 0.87 CYP2C9 (0.68) CYP2C9CYP3A4TRPM8TRPA1TRPV1
SCHEMBL3740557 0.83 CYP2C9 (0.63) CYP2C9CYP3A4TRPM8S1PR1SCN9A
SCHEMBL3740551 0.83 CYP2C9 (0.63) CYP2C9CYP3A4TRPM8S1PR1SCN9A
Hydrochloric Acid SCHEMBL2789872 0.83 CYP2C9 (0.62) CYP2C9CYP3A4TRPM8S1PR1SCN9A
Hydrochloric Acid SCHEMBL3750538 0.83 CYP2C9 (0.62) CYP2C9CYP3A4TRPM8S1PR1SCN9A
SCHEMBL2770465 0.82 CYP3A4 (0.62) CYP2C9CYP3A4TRPM8S1PR1SCN9A
SCHEMBL3745835 0.82 CYP3A4 (0.62) CYP2C9CYP3A4TRPM8S1PR1SCN9A
SCHEMBL2773588 0.77 CYP3A4 (0.55) CYP2C9CYP3A4TRPM8S1PR1SCN9A

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 CYP2C9 2805/4885CYP3A4 2735/4885TRPM8 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.