SCHEMBL3740562

SCHEMBL3740562

FC(F)(F)c1cccc(C(F)(F)F)c1-c1ccc2[nH]c(/C=C/C3CCCCC3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP3A4 P08684 1/20 0.67
TRPV1 Q8NER1 10/20 0.38
TRPA1 O75762 2/20 0.38
MAP4K1 Q92918 1/20 0.32
ABL1 P00519 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30

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
SCHEMBL3740565 1.00 TRPM8 (0.67) TRPM8CYP2C9CYP3A4TRPV1TRPA1
SCHEMBL3745153 0.94 CYP3A4 (0.62) TRPM8CYP2C9CYP3A4TRPV1TRPA1
SCHEMBL3745148 0.94 CYP3A4 (0.62) TRPM8CYP2C9CYP3A4TRPV1TRPA1
SCHEMBL3744235 0.88 CYP2C9 (0.85) TRPM8CYP2C9CYP3A4TRPV1TRPA1
SCHEMBL2772149 0.88 CYP2C9 (0.85) TRPM8CYP2C9CYP3A4TRPV1TRPA1
Hydrochloric Acid SCHEMBL2793643 0.88 CYP2C9 (0.83) TRPM8CYP2C9CYP3A4TRPV1TRPA1
Hydrochloric Acid SCHEMBL3747005 0.88 CYP2C9 (0.83) TRPM8CYP2C9CYP3A4TRPV1TRPA1
SCHEMBL3750520 0.87 CYP3A4 (0.54) TRPM8CYP2C9CYP3A4TRPA1ABL1
SCHEMBL2773346 0.87 CYP3A4 (0.54) TRPM8CYP2C9CYP3A4TRPA1ABL1
SCHEMBL3740231 0.86 CYP3A4 (0.62) TRPM8CYP2C9CYP3A4TRPV1

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 TRPM8 1/4885CYP2C9 2805/4885CYP3A4 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.