SCHEMBL493235

SCHEMBL493235

CN(C)C(CCc1ccccc1)C1CCC(/C=N/O)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
G6PC1 P35575 1/20 0.35
SLC18A3 Q16572 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2306988 1.00 KDM4E (0.36) KDM4EG6PC1SLC18A3CHRNB2CHRNB4
SCHEMBL493236 1.00 KDM4E (0.36) KDM4EG6PC1SLC18A3CHRNB2CHRNB4
SCHEMBL645117 0.84 OPRM1 (0.34) KDM4ESLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL645118 0.84 OPRM1 (0.34) KDM4ESLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL493718 0.83 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4LTB4R
SCHEMBL1327655 0.81 SLC18A3 (0.41) KDM4ESLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL645119 0.80 SLC18A3 (0.34) KDM4ESLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL493503 0.79 SLC18A3 (0.35) KDM4ESLC18A3ALDH1A1HTT
SCHEMBL1327183 0.79 CHRNB2 (0.39) KDM4ESLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL493638 0.78 AOC3 (0.39) KDM4ESLC18A3

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-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
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
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KDM4E 2178/4885G6PC1 3200/4885SLC18A3 3150/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R KDM4E 940/4885G6PC1 2953/4885SLC18A3 1506/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A KDM4E 2875/4885G6PC1 344/4885SLC18A3 3875/4885

“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.