SCHEMBL3099138

SCHEMBL3099138

CC(C)(CO)CCc1[c]ccc(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.32
PDE2A O00408 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
SCHEMBL3089876 0.84 PDE2A (0.32) PDE2A
SCHEMBL20721999 0.77 PDE2A (0.35) PDE2A
SCHEMBL3791113 0.73 PDE2A (0.39) PDE2A
SCHEMBL463350 0.73 TRPV1 (0.40) PDE2A
SCHEMBL12702500 0.72 TAAR1 (0.56)
SCHEMBL27969313 0.70 CES2 (0.32) PDE2A
SCHEMBL27672763 0.70 TAAR1 (0.39)
SCHEMBL3104276 0.69 HTR2A (0.41) PDE2A
SCHEMBL7523504 0.69 IDO1 (0.35) PDE2A
SCHEMBL27810290 0.69 CES2 (0.31)

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-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
EP-2054390-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPV1 AND USES THEREOF Abbott Laboratories (US) 2009-05-06 EP 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
WO-2008024945-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPV1 AND USES THEREOF ABBOTT LABORATORIES (US) 2008-02-28 WO 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 TRPV3 2/4885PDE2A 908/4885
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 TRPV3 4/4885PDE2A 1776/4885

“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.