SCHEMBL3749500

SCHEMBL3749500

FC(F)(F)c1ccccc1-c1ccc2[nH]c(/C=C/C3CCOCC3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.69
TRPM8 Q7Z2W7 2/20 0.69
CYP2C9 P11712 2/20 0.69
TRPV1 Q8NER1 10/20 0.47
TRPA1 O75762 2/20 0.42
CYP1A2 P05177 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
BACE1 P56817 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL3749504 1.00 CYP3A4 (0.69) CYP3A4TRPM8CYP2C9TRPV1TRPA1
Hydrochloric Acid SCHEMBL3745524 0.99 CYP3A4 (0.68) CYP3A4TRPM8CYP2C9TRPV1TRPA1
Hydrochloric Acid SCHEMBL3745522 0.99 CYP3A4 (0.68) CYP3A4TRPM8CYP2C9TRPV1TRPA1
SCHEMBL3744235 0.90 CYP2C9 (0.85) CYP3A4TRPM8CYP2C9TRPV1TRPA1
SCHEMBL2772149 0.90 CYP2C9 (0.85) CYP3A4TRPM8CYP2C9TRPV1TRPA1
Hydrochloric Acid SCHEMBL3747005 0.89 CYP2C9 (0.83) CYP3A4TRPM8CYP2C9TRPV1TRPA1
Hydrochloric Acid SCHEMBL2793643 0.89 CYP2C9 (0.83) CYP3A4TRPM8CYP2C9TRPV1TRPA1
SCHEMBL3757404 0.89 TRPM8 (0.70) CYP3A4TRPM8CYP2C9TRPV1TRPA1
SCHEMBL3757405 0.89 TRPM8 (0.70) CYP3A4TRPM8CYP2C9TRPV1TRPA1
SCHEMBL3750020 0.87 TRPM8 (0.68) CYP3A4TRPM8CYP2C9TRPV1TRPA1

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 9 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-8217060-B2 Benzimidazole derivatives useful as TRP M8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-07-10 US disclosed
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
US-20100292276-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2010-11-18 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 2735/4885TRPM8 1/4885CYP2C9 2805/4885

“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.