Sugi Predict

Sugi Predict / Compounds / SCHEMBL493293

SCHEMBL493293

SCHEMBL493293

CN(C)C(c1cccs1)C1CCC(CC=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ CCR5 P51681 1/20 0.30
▸ OPRL1 P41146 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HSD17B2 P37059 2/20 0.30

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
SCHEMBL493281 0.85 OPRM1 (0.34) OPRM1OPRK1ALDH1A1MEN1NPC1
SCHEMBL493280 0.85 OPRM1 (0.34) OPRM1OPRK1ALDH1A1MEN1NPC1
SCHEMBL493305 0.82 OPRM1 (0.34) OPRM1OPRK1ALDH1A1MEN1NPC1
SCHEMBL493263 0.82 OPRM1 (0.37) OPRM1OPRK1ALDH1A1MEN1NPC1
SCHEMBL1326507 0.82 OPRM1 (0.37) OPRM1OPRK1ALDH1A1MEN1NPC1
SCHEMBL1328245 0.82 OPRM1 (0.43) OPRM1OPRK1ALDH1A1MEN1NPC1
SCHEMBL493415 0.80 OPRM1 (0.35) OPRM1OPRK1ALDH1A1MEN1NPC1
SCHEMBL493563 0.78 OPRM1 (0.35) OPRM1
SCHEMBL493784 0.77 OPRM1 (0.36) OPRM1OPRK1KDM4EALOX5MAPT
SCHEMBL1326803 0.77 OPRM1 (0.36) OPRM1OPRK1ALDH1A1MEN1NPC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728028-B2 Substituted imidazoline compounds GRUENENTHAL GMBH (DE) 2010-06-01 — — US claimed
EP-1963278-B1 SUBSTITUTED IMIDAZOLINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-11-18 — — EP claimed
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-02-19 — — 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
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 — — EP disclosed
US-7728028-B2 Substituted imidazoline compounds GRUENENTHAL GMBH (DE) 2010-06-01 — — US 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 — — US disclosed
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-02-19 — — 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
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 — — EP 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
EP-1963278-A1 SUBSTITUTED IMIDAZOLINE DERIVATIVES Grünenthal GmbH (DE) 2008-09-03 — — EP disclosed
WO-2007079927-A1 SUBSTITUTED IMIDAZOLINE DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 — — WO disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 — — 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 (4 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 OPRM1 20/4885OPRK1 1/4885ALDH1A1 1349/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R OPRM1 57/4885OPRK1 37/4885ALDH1A1 1333/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A OPRM1 91/4885OPRK1 30/4885ALDH1A1 511/4885
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 OPRM1 12/4885OPRK1 2/4885ALDH1A1 3/4885

“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.