SCHEMBL3750520

SCHEMBL3750520

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
IKBKB O14920 4/20 0.35
CHUK O15111 4/20 0.35
AKT1 P31749 4/20 0.35
AKT2 P31751 4/20 0.35
AKT3 Q9Y243 4/20 0.35
PIM1 P11309 5/20 0.33
PIM3 Q86V86 5/20 0.33
PIM2 Q9P1W9 5/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPK14 Q16539 1/20 0.33
ABL1 P00519 1/20 0.33
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL2773346 1.00 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3740272 0.94 CYP2C9 (0.49) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL2772019 0.94 CYP2C9 (0.49) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3745153 0.92 CYP3A4 (0.62) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3745148 0.92 CYP3A4 (0.62) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3745284 0.91 CYP3A4 (0.47) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL2773145 0.91 CYP3A4 (0.47) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3749516 0.89 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3749512 0.89 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3750516 0.89 CYP3A4 (0.43) 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 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.