SCHEMBL2770926

SCHEMBL2770926

FC1=CCC(C=Cc2nc3cc(-c4ccccc4C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.53
TRPM8 Q7Z2W7 3/20 0.53
CYP3A4 P08684 2/20 0.53
TRPV1 Q8NER1 5/20 0.37
TRPA1 O75762 4/20 0.34
BACE1 P56817 1/20 0.34
NPY5R Q15761 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
USP2 O75604 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
SCN9A Q15858 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL3745292 1.00 CYP2C9 (0.53) CYP2C9TRPM8CYP3A4TRPV1TRPA1
SCHEMBL3745295 1.00 CYP2C9 (0.53) CYP2C9TRPM8CYP3A4TRPV1TRPA1
Hydrochloric Acid SCHEMBL3740912 0.99 CYP2C9 (0.52) CYP2C9TRPM8CYP3A4TRPV1TRPA1
Hydrochloric Acid SCHEMBL3740909 0.99 CYP2C9 (0.52) CYP2C9TRPM8CYP3A4TRPV1TRPA1
Hydrochloric Acid SCHEMBL3740905 0.99 CYP2C9 (0.52) CYP2C9TRPM8CYP3A4TRPV1TRPA1
SCHEMBL3740571 0.87 TRPM8 (0.63) CYP2C9TRPM8CYP3A4TRPV1TRPA1
SCHEMBL3740575 0.87 TRPM8 (0.63) CYP2C9TRPM8CYP3A4TRPV1TRPA1
SCHEMBL3740576 0.87 TRPM8 (0.63) CYP2C9TRPM8CYP3A4TRPV1TRPA1
SCHEMBL2772088 0.83 CYP2C9 (0.57) CYP2C9TRPM8CYP3A4TRPV1TRPA1
SCHEMBL3745398 0.83 CYP2C9 (0.57) CYP2C9TRPM8CYP3A4TRPV1TRPA1

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 6 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
WO-2010132247-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO 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
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

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.