SCHEMBL3093153

SCHEMBL3093153

CC(C)(C)CCc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.66
CLK4 Q9HAZ1 1/20 0.64

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
SCHEMBL4026162 0.84 CLK4 (0.78) TRPV1CLK4
SCHEMBL3099695 0.81 CLK4 (0.69) TRPV1CLK4
SCHEMBL31119240 0.81 TRPV1 (0.66) TRPV1
SCHEMBL3101886 0.81 TRPV1 (0.66) TRPV1
SCHEMBL5024919 0.80 CLK4 (0.77) TRPV1CLK4
SCHEMBL3095267 0.79 TRPV1 (1.00) TRPV1
SCHEMBL5026128 0.79 CLK4 (1.00) TRPV1CLK4
SCHEMBL5015997 0.78 CLK4 (0.71) TRPV1CLK4
SCHEMBL5024906 0.78 CLK4 (0.70) TRPV1CLK4
SCHEMBL5018035 0.77 CLK4 (0.79) TRPV1CLK4

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-8815930-B2 Compounds that inhibit TRPV1 and uses thereof ABBVIE INC. (US) 2014-08-26 US disclosed
US-20100249203-A1 COMPOUNDS THAT INHIBIT TRPV1 AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-7767705-B2 1-(2-(3,3-dimethylbutyl)-4-(trifluoromethyl)benzyl)-3-(1-methyl-1H-indazol-4-yl)urea; transient receptor potential vanilloid-1 (TRPV1) antagonist; low inhibitory activity against drug metabolism enzyme CYP3A4; antinociceptive, analgesic, antiinflammatory, antischemic agent; neuropatic pain ABBOTT LABORATORIES (US) 2010-08-03 US disclosed
US-20080058401-A1 1-(2-(3,3-dimethylbutyl)-4-(trifluoromethyl)benzyl)-3-(1-methyl-1H-indazol-4-yl)urea; transient receptor potential vanilloid-1 (TRPV1) antagonist; low inhibitory activity against drug metabolism enzyme CYP3A4; antinociceptive, analgesic, antiinflammatory, antischemic agent; neuropatic pain ABBOTT LABORATORIES (US) 2008-03-06 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 (2 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-20100249203-A1 COMPOUNDS THAT INHIBIT TRPV1 AND USES THEREOF TRPV1, TRPV3, TRPA1 TRPV1 1/4885CLK4 4568/4885
US-20080058401-A1 1-(2-(3,3-dimethylbutyl)-4-(trifluoromethyl)benzyl)-3-(1-methyl-1H-indazol-4-yl)urea; transient receptor potential vanilloid-1 (TRPV1) antagonist; low inhibitory activity against drug metabolism enzyme CYP3A4; antinociceptive, analgesic, antiinflammatory, antischemic agent; neuropatic pain TRPV1, TRPA1, OPRK1 TRPV1 1/4885CLK4 4214/4885

“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.