SCHEMBL493434

SCHEMBL493434

COC(=O)C1CCN(Cc2ccc(OC)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SIGMAR1 Q99720 2/20 0.60
KDM4E B2RXH2 4/20 0.60
PKM P14618 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPT P10636 1/20 0.57
CACNA1G O43497 1/20 0.55
SLC18A3 Q16572 2/20 0.55
DRD4 P21917 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL6988354 0.88 KDM4E (0.74) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6990156 0.87 S1PR5 (0.67) MEN1KMT2ASIGMAR1KDM4ESLC18A3
SCHEMBL7851403 0.86 KDM4E (0.60) MEN1KMT2ASIGMAR1KDM4EALDH1A1
SCHEMBL4591716 0.86 ALDH1A1 (0.67) MEN1KMT2ASIGMAR1KDM4EALDH1A1
SCHEMBL8330692 0.86 KDM4E (0.60) SIGMAR1KDM4EALDH1A1CACNA1G
SCHEMBL2794872 0.85 ALDH1A1 (0.63) MEN1KMT2ASIGMAR1KDM4EALDH1A1
SCHEMBL29241052 0.84 KDM4E (0.65) MEN1KMT2AKDM4EALDH1A1
SCHEMBL27569115 0.84 KDM4E (0.74) MEN1KMT2AKDM4EALDH1A1
SCHEMBL6567555 0.83 MEN1 (0.54) MEN1KMT2ASIGMAR1KDM4EPKM
SCHEMBL25011360 0.83 KDM4E (0.57) MEN1KMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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 (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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD MEN1 4132/4885KMT2A 1749/4885SIGMAR1 84/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A MEN1 4243/4885KMT2A 2577/4885SIGMAR1 78/4885

“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.