SCHEMBL493718

SCHEMBL493718

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL4713166 0.87 MEN1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL644085 0.84 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL493235 0.83 KDM4E (0.36) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL493236 0.83 KDM4E (0.36) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL2306988 0.83 KDM4E (0.36) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL493638 0.81 AOC3 (0.39) TAAR1
SCHEMBL1327655 0.81 SLC18A3 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL3597434 0.81 HTT (0.47) ALDH1A1HTTHPGDTAAR1
SCHEMBL493628 0.80 POLB (0.37) TAAR1
SCHEMBL1328400 0.79 KMT2A (0.38) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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 30 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
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
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-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 (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 CHRNB2 1348/4885CHRNB4 1664/4885CHRNA3 1100/4885

“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.