SCHEMBL3744553

SCHEMBL3744553

FC(F)(F)c1cccnc1-c1ccc2[nH]c(/C=C/C3CCOCC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
TRPV1 Q8NER1 19/20 0.44

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
SCHEMBL3744558 1.00 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8TRPV1
Hydrochloric Acid SCHEMBL3751798 0.99 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8TRPV1
Hydrochloric Acid SCHEMBL3751795 0.99 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8TRPV1
SCHEMBL3740228 0.90 CYP3A4 (0.62) CYP3A4CYP2C9TRPM8TRPV1
SCHEMBL3740231 0.90 CYP3A4 (0.62) CYP3A4CYP2C9TRPM8TRPV1
SCHEMBL3749500 0.85 CYP3A4 (0.69) CYP3A4CYP2C9TRPM8TRPV1
SCHEMBL3749504 0.85 CYP3A4 (0.69) CYP3A4CYP2C9TRPM8TRPV1
Hydrochloric Acid SCHEMBL3745524 0.85 CYP3A4 (0.68) CYP3A4CYP2C9TRPM8TRPV1
Hydrochloric Acid SCHEMBL3745522 0.85 CYP3A4 (0.68) CYP3A4CYP2C9TRPM8TRPV1
SCHEMBL3744540 0.82 CYP3A4 (0.44) CYP3A4CYP2C9TRPM8

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.