SCHEMBL9977495

SCHEMBL9977495

O=c1n(Cc2ccc(OC(F)(F)F)cc2)c2ccccc2n1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CHRM5 P08912 4/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
FEN1 P39748 1/20 0.46
GRM2 Q14416 1/20 0.46
P2RX3 P56373 1/20 0.46
P2RX4 Q99571 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
GABRA5 P31644 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4594276 0.93 TYMS (0.45) MEN1KMT2ACHRM5ALDH1A1TSHR
SCHEMBL4594153 0.88 KMT2A (0.56) KMT2AALDH1A1P2RX4
SCHEMBL4595516 0.85 KIF11 (0.57) MEN1KMT2AALDH1A1P2RX3
SCHEMBL4595781 0.80 LMNA (0.64) MEN1KMT2AALDH1A1TSHRFEN1
SCHEMBL9977540 0.79 P2RX3 (0.56) MEN1KMT2ACHRM5ALDH1A1P2RX3
SCHEMBL4098399 0.76 LMNA (0.49) MEN1KMT2AALDH1A1GRM2L3MBTL1
SCHEMBL23997444 0.76 GRIN1 (0.51) MEN1KMT2ACHRM5ALDH1A1TSHR
SCHEMBL30345142 0.76 GRIN1 (0.51) MEN1KMT2ACHRM5ALDH1A1TSHR
SCHEMBL9677874 0.75 CHRM5 (0.60) CHRM5HCRTR1HCRTR2
SCHEMBL9921453 0.75 PTGER4 (0.43) CHRM5ALDH1A1TSHRGRM2P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207182-B2 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide GRUENENTHAL GMBH (DE) 2012-06-26 US disclosed
US-8207182-B2 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide GRUENENTHAL GMBH (DE) 2012-06-26 US disclosed
EP-1874733-B1 SUBSTITUTED CYCLIC UREA DERIVATIVES AND THE USE THEREOF AS VANILLOID RECEPTOR 1 MODULATORS GRUENENTHAL GMBH (DE) 2012-06-20 EP disclosed
US-20080090855-A1 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide GRUENENTHAL GMBH (DE) 2008-04-17 US disclosed
US-20080090855-A1 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide GRUENENTHAL GMBH (DE) 2008-04-17 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-20080090855-A1 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide TRPV1, TRPA1, P2RX3 MEN1 4718/4885KMT2A 4782/4885CHRM5 1089/4885

“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.