SCHEMBL3745288

SCHEMBL3745288

Cc1cc(-c2ccccc2C(F)(F)F)cc2nc(/C=C/C3CCCCC3)[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.68
TRPM8 Q7Z2W7 4/20 0.68
CYP3A4 P08684 1/20 0.68
TRPA1 O75762 4/20 0.47
NPY5R Q15761 1/20 0.41
TRPV1 Q8NER1 7/20 0.40
KCNH2 Q12809 1/20 0.34
BACE1 P56817 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL3745289 1.00 CYP2C9 (0.68) CYP2C9TRPM8CYP3A4TRPA1NPY5R
SCHEMBL2773588 0.90 CYP3A4 (0.55) CYP2C9TRPM8CYP3A4TRPA1NPY5R
SCHEMBL2773591 0.90 CYP3A4 (0.55) CYP2C9TRPM8CYP3A4TRPA1NPY5R
SCHEMBL2771431 0.90 CYP2C9 (0.55) CYP2C9TRPM8CYP3A4TRPA1NPY5R
Hydrochloric Acid SCHEMBL3744936 0.90 CYP3A4 (0.55) CYP2C9TRPM8CYP3A4TRPA1NPY5R
SCHEMBL2771428 0.90 CYP2C9 (0.55) CYP2C9TRPM8CYP3A4TRPA1NPY5R
Hydrochloric Acid SCHEMBL3744931 0.90 CYP3A4 (0.55) CYP2C9TRPM8CYP3A4TRPA1NPY5R
Hydrochloric Acid SCHEMBL3753770 0.89 CYP2C9 (0.54) CYP2C9TRPM8CYP3A4TRPA1NPY5R
Hydrochloric Acid SCHEMBL3753775 0.89 CYP2C9 (0.54) CYP2C9TRPM8CYP3A4TRPA1NPY5R
SCHEMBL3743357 0.87 CYP2C9 (0.51) CYP2C9TRPM8CYP3A4TRPA1TRPV1

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 2805/4885TRPM8 1/4885CYP3A4 2735/4885

“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.