SCHEMBL3740272

SCHEMBL3740272

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.49
CYP3A4 P08684 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
RECQL P46063 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GRIA1 P42261 2/20 0.34
CACNG8 Q8WXS5 2/20 0.34
MEN1 O00255 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
SCHEMBL2772019 1.00 CYP2C9 (0.49) CYP2C9CYP3A4TRPM8KDM4EALDH1A1
SCHEMBL2773346 0.94 CYP3A4 (0.54) CYP2C9CYP3A4TRPM8KDM4EALDH1A1
SCHEMBL3750520 0.94 CYP3A4 (0.54) CYP2C9CYP3A4TRPM8KDM4EALDH1A1
SCHEMBL3745148 0.86 CYP3A4 (0.62) CYP2C9CYP3A4TRPM8IKBKBCHUK
SCHEMBL3745153 0.86 CYP3A4 (0.62) CYP2C9CYP3A4TRPM8IKBKBCHUK
SCHEMBL2773145 0.85 CYP3A4 (0.47) CYP2C9CYP3A4TRPM8GRIA1CACNG8
SCHEMBL3745284 0.85 CYP3A4 (0.47) CYP2C9CYP3A4TRPM8GRIA1CACNG8
SCHEMBL3749516 0.84 CYP3A4 (0.50) CYP2C9CYP3A4TRPM8GRIA1CACNG8
SCHEMBL3749512 0.84 CYP3A4 (0.50) CYP2C9CYP3A4TRPM8GRIA1CACNG8
SCHEMBL3750768 0.83 CYP3A4 (0.63) CYP2C9CYP3A4TRPM8ALDH1A1NPC1

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 CYP2C9 2805/4885CYP3A4 2735/4885TRPM8 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.