SCHEMBL3748387

SCHEMBL3748387

CC1(C)CCC(C=Cc2nc3cc(-c4c(F)cccc4F)ccc3[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
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
ABL1 P00519 3/20 0.33
PIM1 P11309 3/20 0.32
PIM3 Q86V86 3/20 0.32
PIM2 Q9P1W9 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
ATM Q13315 1/20 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
SCHEMBL3748382 1.00 CYP3A4 (0.42) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3750520 0.87 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL2773346 0.87 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3750516 0.85 CYP3A4 (0.43) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3750518 0.85 CYP3A4 (0.43) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3748409 0.85 MAP4K1 (0.37) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3748411 0.85 MAP4K1 (0.37) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3738984 0.83 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3738975 0.83 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8IKBKBCHUK
Hydrochloric Acid SCHEMBL3745405 0.83 CYP3A4 (0.49) CYP3A4CYP2C9TRPM8ABL1TRPA1

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.