SCHEMBL3095215

SCHEMBL3095215

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.41
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
HTR2C P28335 1/20 0.37
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
KIF11 P52732 3/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTPN5 P54829 1/20 0.31

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
SCHEMBL1079312 0.82 PDE2A (0.34) PDE2AHTR2AHTR2BHTR2CKIF11
SCHEMBL6576802 0.82 RORC (0.34) TSHRALDH1A1
SCHEMBL207047 0.77 CYP1A2 (0.30)
SCHEMBL95846 0.72 KIF11 (0.36) PDE2AHTR2AHTR2BHTR2CMAPT
SCHEMBL27999512 0.72 PDE2A (0.37) PDE2ASMN1; SMN2LMNASLC6A4DRD3
SCHEMBL3104276 0.72 HTR2A (0.41) PDE2AHTR2AHTR2BHTR2CSIGMAR1
SCHEMBL15352508 0.72 PDE2A (0.38) PDE2AHTR2AHTR2BHTR2CNPSR1
SCHEMBL149760 0.70 TSHR (0.37) PDE2AHTR2CKIF11TSHRMAPK1
SCHEMBL146433 0.70 PDE2A (0.37) PDE2AHTR2CSIGMAR1KIF11TSHR
SCHEMBL1776424 0.70 TRPA1 (0.35) HTR2BLMNAADRA1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105636955-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2016-06-01 CN disclosed
CN-104245689-A Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL CO 2014-12-24 CN disclosed
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
CN-101541758-A Indazole derivatives that inhibit TRPV1 and uses thereof ABBOTT LAB (US) 2009-09-23 CN 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
US-5169958-A Reacting, 3-amino-2-propen-1-ones with magnesium halide in solvent BASF AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
EP-0480242-A2 Method for the production of alpha,beta-unsaturated carbonyl compounds BASF Aktiengesellschaft (DE) 1992-04-15 EP 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 PDE2A 908/4885HTR2A 273/4885HTR2B 131/4885
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 PDE2A 1776/4885HTR2A 657/4885HTR2B 281/4885

“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.