SCHEMBL494252

SCHEMBL494252

CN(C)C(c1cccc(F)c1)C1CCC(C=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.40
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
KDR P35968 1/20 0.36
SLC6A3 Q01959 1/20 0.36
AOC3 Q16853 1/20 0.35
CYP2C9 P11712 1/20 0.34
HTR6 P50406 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 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
SCHEMBL2305874 0.83 OPRL1 (0.38) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL493061 0.83 OPRL1 (0.40) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL493723 0.83 OPRL1 (0.38) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL493724 0.83 OPRL1 (0.38) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL493325 0.83 CHRM1 (0.35) SLC6A4SLC6A3AOC3CYP2C9
SCHEMBL493789 0.83 IDO1 (0.35) SLC6A4OPRM1KDRSLC6A3
SCHEMBL1326919 0.82 SLC6A4 (0.45) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL492779 0.82 AOC3 (0.43) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL3587092 0.81 OPRL1 (0.49) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL492682 0.81 OPRL1 (0.41) OPRL1SLC6A4OPRM1KDRSLC6A3

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 32 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
EP-1963289-B1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-05-15 EP disclosed
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-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-1963288-B1 SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION GRUENENTHAL GMBH (DE) 2011-09-07 EP 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
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-1963288-A1 SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION Grünenthal GmbH (DE) 2008-09-03 EP disclosed
EP-1963289-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2008-09-03 EP disclosed
EP-1963278-A1 SUBSTITUTED IMIDAZOLINE DERIVATIVES Grünenthal GmbH (DE) 2008-09-03 EP disclosed
WO-2007079931-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079928-A1 SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION Grünenthal GmbH (DE) 2007-07-19 WO 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 (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-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 OPRL1 25/4885SLC6A4 274/4885OPRM1 12/4885

“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.