SCHEMBL4594671

SCHEMBL4594671

CC(C)(C)c1ccc(CN2CCN(Cc3ccc(N4C(=O)c5ccccc5C4=O)cc3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR1H3 Q13133 4/20 0.45
MEN1 O00255 2/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
PPARA Q07869 2/20 0.42
PPARD Q03181 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL9977538 0.83 POLB (0.51) KMT2ATDP1MEN1DRD2DRD3
SCHEMBL13871737 0.82 KMT2A (0.58) KMT2ANR1H3MEN1CA12CA1
SCHEMBL9977537 0.78 KMT2A (0.50) KMT2ATDP1MEN1DRD2DRD3
SCHEMBL4606687 0.76 LMNA (0.46) KMT2AMEN1DRD2DRD3KCNH2
SCHEMBL21098988 0.74 KMT2A (0.58) KMT2ATDP1CA12CA1CA9
SCHEMBL3554203 0.73 RAB9A (0.58) KMT2AMEN1DRD2DRD3KCNH2
SCHEMBL4595576 0.71 MAOB (0.47) KMT2AMEN1KCNH2SIGMAR1LMNA
SCHEMBL3558483 0.71 RAB9A (0.56) DRD2DRD3KCNH2RAB9A
SCHEMBL4923161 0.70 HDAC6 (0.40) KMT2AMEN1LMNAPOLBCYP2D6
SCHEMBL4595797 0.70 TRPV1 (0.54)

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 KMT2A 4782/4885TDP1 2073/4885NR1H3 1628/4885

“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.