SCHEMBL493077

SCHEMBL493077

CN(C)C(c1ccc(Cl)cc1)C1CCC(CC=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.44
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A3 Q01959 3/20 0.33
AOC3 Q16853 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL644967 0.87 DPP4 (0.34) BCL2A1SLC6A4SLC6A2SLC6A3AOC3
SCHEMBL493563 0.87 OPRM1 (0.35) BCL2A1
SCHEMBL493027 0.85 BCL2A1 (0.42) BCL2A1SLC6A4SLC6A2SLC6A3AOC3
SCHEMBL493029 0.85 BCL2A1 (0.42) BCL2A1SLC6A4SLC6A2SLC6A3AOC3
SCHEMBL493597 0.82 BCL2A1 (0.46) BCL2A1SLC6A4SLC6A2SLC6A3AOC3
SCHEMBL493821 0.82 BCL2A1 (0.40) BCL2A1SLC6A4SLC6A2SLC6A3AOC3
SCHEMBL1326749 0.82 BCL2A1 (0.43) BCL2A1SLC6A4SLC6A2SLC6A3AOC3
SCHEMBL493769 0.80 BCL2A1 (0.39) BCL2A1SLC6A4SLC6A2SLC6A3AOC3
SCHEMBL4091462 0.78 BCL2A1 (0.44) BCL2A1SLC6A4SLC6A2SLC6A3AOC3
SCHEMBL493061 0.78 OPRL1 (0.40) SLC6A4SLC6A3AOC3

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 22 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-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 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
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-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 (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 BCL2A1 3439/4885SLC6A4 2704/4885SLC6A2 2372/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A BCL2A1 2553/4885SLC6A4 349/4885SLC6A2 873/4885
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 BCL2A1 4352/4885SLC6A4 274/4885SLC6A2 355/4885

“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.