Sugi Predict

Sugi Predict / Compounds / SCHEMBL2773591

SCHEMBL2773591

SCHEMBL2773591

Cc1cc(-c2ccccc2C(F)(F)F)cc2nc(C=CC3CCOCC3)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.55
▸ TRPM8 Q7Z2W7 3/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ TRPA1 O75762 4/20 0.45
▸ TRPV1 Q8NER1 6/20 0.39
▸ NPY5R Q15761 1/20 0.36
▸ CNR2 P34972 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ PIK3R1 P27986 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
SCHEMBL2773588 1.00 CYP3A4 (0.55) CYP3A4TRPM8CYP2C9TRPA1TRPV1
Hydrochloric Acid SCHEMBL3744931 0.99 CYP3A4 (0.55) CYP3A4TRPM8CYP2C9TRPA1TRPV1
Hydrochloric Acid SCHEMBL3744936 0.99 CYP3A4 (0.55) CYP3A4TRPM8CYP2C9TRPA1TRPV1
SCHEMBL3745289 0.90 CYP2C9 (0.68) CYP3A4TRPM8CYP2C9TRPA1TRPV1
SCHEMBL3745288 0.90 CYP2C9 (0.68) CYP3A4TRPM8CYP2C9TRPA1TRPV1
SCHEMBL2771431 0.88 CYP2C9 (0.55) CYP3A4TRPM8CYP2C9TRPA1TRPV1
SCHEMBL2771428 0.88 CYP2C9 (0.55) CYP3A4TRPM8CYP2C9TRPA1TRPV1
Hydrochloric Acid SCHEMBL3753775 0.87 CYP2C9 (0.54) CYP3A4TRPM8CYP2C9TRPA1TRPV1
Hydrochloric Acid SCHEMBL3753770 0.87 CYP2C9 (0.54) CYP3A4TRPM8CYP2C9TRPA1TRPV1
SCHEMBL3749504 0.83 CYP3A4 (0.69) CYP3A4TRPM8CYP2C9TRPA1TRPV1

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 2735/4885TRPM8 1/4885CYP2C9 2805/4885

“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.