SCHEMBL3755085

SCHEMBL3755085

Fc1ccc(F)c(-c2ccc3[nH]c(/C=C/C4CCCCC4)nc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
GSK3B P49841 1/20 0.37
IKBKB O14920 4/20 0.37
CHUK O15111 4/20 0.37
AKT1 P31749 4/20 0.37
AKT2 P31751 4/20 0.37
AKT3 Q9Y243 4/20 0.37
TRPV1 Q8NER1 2/20 0.34
ABL1 P00519 1/20 0.34
BRD4 O60885 7/20 0.34
NPY5R Q15761 1/20 0.32
S1PR1 P21453 2/20 0.32
GCGR P47871 1/20 0.31
MAPK14 Q16539 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
SCHEMBL2772611 1.00 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8GSK3BIKBKB
SCHEMBL2770423 0.90 CYP3A4 (0.53) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3745551 0.90 CYP3A4 (0.53) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3750768 0.88 CYP3A4 (0.63) CYP3A4CYP2C9TRPM8TRPV1
SCHEMBL2773265 0.88 CYP3A4 (0.63) CYP3A4CYP2C9TRPM8TRPV1
SCHEMBL3750052 0.87 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8ABL1BRD4
SCHEMBL2771289 0.87 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8ABL1BRD4
SCHEMBL3750077 0.87 CYP3A4 (0.61) CYP3A4CYP2C9TRPM8TRPV1
SCHEMBL2775061 0.87 CYP3A4 (0.61) CYP3A4CYP2C9TRPM8TRPV1
SCHEMBL3745138 0.85 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8GSK3BBRD4

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 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.