SCHEMBL644967

SCHEMBL644967

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.34
DPP9 Q86TI2 2/20 0.34
SLC6A2 P23975 2/20 0.33
BCL2A1 Q16548 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A4 P31645 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
AOC3 Q16853 1/20 0.32
KCNH2 Q12809 3/20 0.31
SLC6A3 Q01959 2/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL493077 0.87 BCL2A1 (0.44) SLC6A2BCL2A1SLC6A4AOC3SLC6A3
SCHEMBL493563 0.86 OPRM1 (0.35) BCL2A1
SCHEMBL493061 0.84 OPRL1 (0.40) DPP4DPP9SLC6A4AOC3SLC6A3
SCHEMBL646852 0.84 AOC3 (0.33) DPP4DPP9SLC6A2BCL2A1CHRM1
SCHEMBL646851 0.84 AOC3 (0.33) DPP4DPP9SLC6A2BCL2A1CHRM1
SCHEMBL493315 0.81 AOC3 (0.37) DPP4DPP9SLC6A2CHRM1SLC6A4
SCHEMBL1326885 0.81 AOC3 (0.37) SLC6A2CHRM1SLC6A4AOC3KCNH2
SCHEMBL493325 0.81 CHRM1 (0.35) DPP4DPP9SLC6A2BCL2A1CHRM1
SCHEMBL1327996 0.81 HSD11B1 (0.40) DPP4DPP9DPP8DPP7AOC3
SCHEMBL1327257 0.79 AOC3 (0.36) DPP4DPP9SLC6A2CHRM1SLC6A4

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 24 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
CN-101384563-B Substituted azole derivatives having analgesic effect GRUENENTHAL GMBH 2012-06-27 CN 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-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
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 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
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP 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-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-2007079928-A1 SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION 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 (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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A DPP4 1309/4885DPP9 1326/4885SLC6A2 873/4885
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 DPP4 2524/4885DPP9 1909/4885SLC6A2 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.