SCHEMBL3745148

SCHEMBL3745148

Fc1cccc(C(F)(F)F)c1-c1ccc2[nH]c(/C=C/C3CCCCC3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
TRPM8 Q7Z2W7 1/20 0.62
TRPA1 O75762 1/20 0.47
TRPV1 Q8NER1 5/20 0.36
IKBKB O14920 2/20 0.31
CHUK O15111 2/20 0.31
AKT1 P31749 2/20 0.31
AKT2 P31751 2/20 0.31
AKT3 Q9Y243 2/20 0.31
SCN9A Q15858 1/20 0.31
MAP4K1 Q92918 1/20 0.30
AR P10275 2/20 0.30
F11 P03951 1/20 0.30
KLK1 P06870 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL3745153 1.00 CYP3A4 (0.62) CYP3A4CYP2C9TRPM8TRPA1TRPV1
SCHEMBL3740565 0.94 TRPM8 (0.67) CYP3A4CYP2C9TRPM8TRPA1TRPV1
SCHEMBL3740562 0.94 TRPM8 (0.67) CYP3A4CYP2C9TRPM8TRPA1TRPV1
SCHEMBL2773346 0.92 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8TRPA1IKBKB
SCHEMBL3750520 0.92 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8TRPA1IKBKB
SCHEMBL3738984 0.90 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8TRPA1TRPV1
SCHEMBL3738975 0.90 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8TRPA1TRPV1
Hydrochloric Acid SCHEMBL3745404 0.89 CYP3A4 (0.49) CYP3A4CYP2C9TRPM8TRPA1TRPV1
Hydrochloric Acid SCHEMBL3745405 0.89 CYP3A4 (0.49) CYP3A4CYP2C9TRPM8TRPA1TRPV1
SCHEMBL2772019 0.86 CYP2C9 (0.49) CYP3A4CYP2C9TRPM8IKBKBCHUK

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 2735/4885CYP2C9 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.