Sugi Predict

Sugi Predict / Compounds / SCHEMBL2773145

SCHEMBL2773145

SCHEMBL2773145

COc1cccc(F)c1-c1ccc2[nH]c(C=CC3CCCCC3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ RPS6KA2 Q15349 4/20 0.39
▸ MAP4K1 Q92918 7/20 0.39
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CARM1 Q86X55 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ CACNG8 Q8WXS5 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ CHEK1 O14757 2/20 0.33
▸ CHEK2 O96017 2/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ AKT3 Q9Y243 1/20 0.33

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
SCHEMBL3745284 1.00 CYP3A4 (0.47) CYP3A4CYP2C9TRPM8RPS6KA2MAP4K1
SCHEMBL3756066 0.93 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8RPS6KA2MAP4K1
SCHEMBL2771210 0.93 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8RPS6KA2MAP4K1
SCHEMBL3750520 0.91 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL2773346 0.91 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8IKBKBCHUK
SCHEMBL3748409 0.90 MAP4K1 (0.37) CYP3A4CYP2C9TRPM8RPS6KA2MAP4K1
SCHEMBL3748411 0.90 MAP4K1 (0.37) CYP3A4CYP2C9TRPM8RPS6KA2MAP4K1
SCHEMBL3749512 0.89 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8GRIA1CACNG8
SCHEMBL3749516 0.89 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8GRIA1CACNG8
SCHEMBL3744878 0.87 MAP4K1 (0.37) CYP3A4CYP2C9TRPM8RPS6KA2MAP4K1

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 6 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
WO-2010132247-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 — — WO 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
WO-2010132247-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 — — WO 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.