SCHEMBL3748409

SCHEMBL3748409

COc1cccc(F)c1-c1ccc2[nH]c(/C=C/C3CCC(F)(F)CC3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CACNG8 Q8WXS5 2/20 0.34
TEAD2 Q15562 1/20 0.34
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNG7 P62955 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNG1 Q06432 1/20 0.34
CACNB2 Q08289 1/20 0.34

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
SCHEMBL3748411 1.00 MAP4K1 (0.37) MAP4K1CYP3A4CYP2C9TRPM8CACNG8
SCHEMBL3753032 0.94 CYP3A4 (0.39) MAP4K1CYP3A4CYP2C9TRPM8CACNG8
SCHEMBL3753036 0.94 CYP3A4 (0.39) MAP4K1CYP3A4CYP2C9TRPM8CACNG8
SCHEMBL2773145 0.90 CYP3A4 (0.47) MAP4K1CYP3A4CYP2C9TRPM8CACNG8
SCHEMBL3745284 0.90 CYP3A4 (0.47) MAP4K1CYP3A4CYP2C9TRPM8CACNG8
SCHEMBL3744867 0.85 MAP4K1 (0.37) MAP4K1CYP3A4CYP2C9TRPM8CACNG8
SCHEMBL3744878 0.85 MAP4K1 (0.37) MAP4K1CYP3A4CYP2C9TRPM8CACNG8
SCHEMBL3744869 0.85 MAP4K1 (0.37) MAP4K1CYP3A4CYP2C9TRPM8CACNG8
SCHEMBL3748382 0.85 CYP3A4 (0.42) CYP3A4CYP2C9TRPM8CACNA1BIKBKB
SCHEMBL3748387 0.85 CYP3A4 (0.42) CYP3A4CYP2C9TRPM8CACNA1BIKBKB

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 MAP4K1 1778/4885CYP3A4 2735/4885CYP2C9 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.