SCHEMBL735701

SCHEMBL735701

CO[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
MCHR1 Q99705 2/20 0.47
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 2/20 0.46
KCNA3 P22001 1/20 0.45
MEN1 O00255 1/20 0.45
SIGMAR1 Q99720 4/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43

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
SCHEMBL1470584 0.91 KMT2A (0.52) KMT2AL3MBTL1MCHR1DRD2DRD4
SCHEMBL1470579 0.91 KMT2A (0.52) KMT2AL3MBTL1MCHR1DRD2DRD4
SCHEMBL1470577 0.91 KMT2A (0.52) KMT2AL3MBTL1MCHR1DRD2DRD4
SCHEMBL8741001 0.90 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL7825129 0.90 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL7825124 0.90 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL7825126 0.90 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL4369305 0.88 DRD2 (0.56) KMT2AL3MBTL1MCHR1DRD2DRD4
SCHEMBL4369301 0.88 DRD2 (0.56) KMT2AL3MBTL1MCHR1DRD2DRD4
SCHEMBL4372426 0.88 DRD2 (0.56) KMT2AL3MBTL1MCHR1DRD2DRD4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138204-B2 Emesis, dyspepsia, gastroparesis, constipation, gastroesophageal reflux, or post-operative ileus; cisapride analogs; side effect reduction of adverse events; (R)-quinuclidin-3-yl 6-((3S,4R)-4-(4-amino-5-chloro-2-methoxybenzamido)-3-methoxypiperidin-1-yl)hexanoate or salts ARYX THERAPEUTICS, INC. (US) 2012-03-20 US disclosed
US-7629466-B2 Synthetic methods and intermediates for steroisomeric compounds useful for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS, INC. (US) 2009-12-08 US disclosed
US-20090137810-A1 Synthetic Methods and Intermediates for Stereoisomeric Compounds Useful for the Treatment of Gastrointestinal and Central Nervous System Disorders ARYX THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20080085915-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARYX THERAPEUTICS, INC. 2008-04-10 US disclosed
US-20080085921-A1 Stereoisomeric Compounds And Methods For The Treatment Of Gastrointestinal And Central Nervous System Disorders ARYX THERAPEUTICS (US) 2008-04-10 US disclosed
US-20080076927-A1 Synthetic Methods and Intermediates for Stereoisomeric Compounds Useful for the Treatment of Gastrointestinal and Central Nervous System Disorders ARYX THERAPEUTICS, INC. (US) 2008-03-27 US disclosed
US-7326787-B2 Synthetic methods and intermediates for stereoisomeric compounds useful for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS, INC. (US) 2008-02-05 US disclosed
US-7282509-B2 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS (US) 2007-10-16 US disclosed
US-20070078265-A1 Synthetic Methods and Intermediates for Stereoisomeric Compounds Useful for the Treatment of Gastrointestinal and Central Nervous System Disorders ARYX THERAPEUTICS (US) 2007-04-05 US disclosed
US-7176218-B2 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS (US) 2007-02-13 US 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 (5 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-20080085921-A1 Stereoisomeric Compounds And Methods For The Treatment Of Gastrointestinal And Central Nervous System Disorders CCKBR, GRPR, HRH2 KMT2A 3667/4885L3MBTL1 4670/4885UBE2M 1176/4885
US-20080076927-A1 Synthetic Methods and Intermediates for Stereoisomeric Compounds Useful for the Treatment of Gastrointestinal and Central Nervous System Disorders CCKBR, GRPR, HRH2 KMT2A 4193/4885L3MBTL1 4171/4885UBE2M 1755/4885
US-20080085915-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS CCKBR, HRH2, GRPR KMT2A 3215/4885L3MBTL1 4557/4885UBE2M 1208/4885
US-20090137810-A1 Synthetic Methods and Intermediates for Stereoisomeric Compounds Useful for the Treatment of Gastrointestinal and Central Nervous System Disorders CCKBR, GRPR, HRH2 KMT2A 4193/4885L3MBTL1 4171/4885UBE2M 1755/4885
US-20070078265-A1 Synthetic Methods and Intermediates for Stereoisomeric Compounds Useful for the Treatment of Gastrointestinal and Central Nervous System Disorders CCKBR, GRPR, HRH2 KMT2A 4193/4885L3MBTL1 4171/4885UBE2M 1755/4885

“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.