SCHEMBL4595576

SCHEMBL4595576

CC(C)(C)c1ccc(CN2CCCN(Cc3ccc(N)cc3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ESRRG P62508 1/20 0.42
LMNA P02545 3/20 0.41
NR3C1 P04150 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SRC P12931 1/20 0.40
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4606687 0.94 LMNA (0.46) MAOBEPHX2POLBHDAC6ALDH1A1
SCHEMBL9977538 0.86 POLB (0.51) MAOBPOLBHDAC6ALDH1A1MEN1
SCHEMBL10278887 0.83 MAOB (0.46) MAOBEPHX2POLBHDAC6ALDH1A1
SCHEMBL4872875 0.81 MAPT (0.51) MAOBALDH1A1MEN1KMT2ALMNA
SCHEMBL31011701 0.81 RAB9A (0.54) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL9977537 0.80 KMT2A (0.50) MAOBPOLBHDAC6ALDH1A1MEN1
SCHEMBL4595430 0.79 TRPV1 (0.52) EPHX2NR3C1
SCHEMBL4873365 0.78 HDAC6 (0.40) MAOBEPHX2POLBHDAC6ALDH1A1
SCHEMBL20354276 0.77 L3MBTL1 (0.59) MAOBPOLBHDAC6ALDH1A1MEN1
Hydrochloric Acid SCHEMBL9453649 0.73 POLB (0.61) MAOBPOLBMEN1KMT2ALMNA

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 10 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
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
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
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
EP-1874733-A1 SUBSTITUTED CYCLIC UREA DERIVATIVES AND THE USE THEREOF AS VANILLOID RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2008-01-09 EP disclosed
WO-2006111346-A1 SUBSTITUTED CYCLIC UREA DERIVATIVES AND THE USE THEREOF AS VANILLOID RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2006-10-26 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 (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 MAOB 3366/4885EPHX2 2624/4885POLB 4446/4885

“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.