SCHEMBL9977538

SCHEMBL9977538

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.45
METAP2 P50579 1/20 0.44
KCNH2 Q12809 4/20 0.43
DRD3 P35462 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC1 Q13547 1/20 0.43
DRD2 P14416 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL9977537 0.93 KMT2A (0.50) POLBLMNAHDAC6KMT2AMEN1
SCHEMBL4606687 0.92 LMNA (0.46) POLBLMNAHDAC6KMT2AMEN1
SCHEMBL4595576 0.86 MAOB (0.47) POLBLMNAHDAC6KMT2AMEN1
SCHEMBL4923161 0.84 HDAC6 (0.40) POLBLMNAHDAC6KMT2AMEN1
SCHEMBL4595797 0.84 TRPV1 (0.54)
SCHEMBL10278887 0.83 MAOB (0.46) POLBLMNAHDAC6KMT2AMEN1
SCHEMBL4594671 0.83 KMT2A (0.47) POLBLMNAKMT2AMEN1CYP2D6
SCHEMBL3554203 0.81 RAB9A (0.58) HDAC6KMT2AMEN1ALDH1A1RAB9A
SCHEMBL4872875 0.81 MAPT (0.51) LMNAKMT2AMEN1ALDH1A1RAB9A
SCHEMBL4595757 0.81 POLB (0.63) POLBLMNAHDAC6KMT2AMEN1

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 POLB 4446/4885LMNA 4092/4885HDAC6 1501/4885

“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.