SCHEMBL6253085

SCHEMBL6253085

CC(=O)CCOc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.58
CHRNA4 P43681 6/20 0.58
KMT2A Q03164 1/20 0.52
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
FAAH O00519 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL15429528 0.85 CHRNB2 (0.56) CHRNB2CHRNA4KMT2A
SCHEMBL30954573 0.85 CHRNB2 (0.56) CHRNB2CHRNA4KMT2A
SCHEMBL13113159 0.83 CHRNB2 (0.53) CHRNB2CHRNA4KMT2ACCNCCDK8
SCHEMBL28467746 0.82 CHRNB2 (0.57) CHRNB2CHRNA4KMT2ACCNCCDK8
SCHEMBL15426554 0.81 KMT2A (0.54) CHRNB2CHRNA4KMT2ACCNCCDK8
SCHEMBL15429530 0.80 CHRNB2 (0.50) CHRNB2CHRNA4KMT2ADRD2DRD3
SCHEMBL10764946 0.79 CHRNB2 (0.52) CHRNB2CHRNA4KMT2AFAAHLMNA
SCHEMBL8278956 0.78 MTNR1A (0.59) KMT2ACYP1A2CYP2C9TSHRCYP2C19
SCHEMBL10458730 0.78 TBXAS1 (0.59) CHRNB2CHRNA4
Bicarbonate SCHEMBL19876805 0.78 CHRNB2 (0.51) CHRNB2CHRNA4KMT2ACCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115070-B2 Process for preparing acrylic acid from ethylene oxide and carbon monoxide BASF SE (DE) 2015-08-25 US disclosed
US-20140018570-A1 PROCESS FOR PREPARING ACRYLIC ACID FROM ETHYLENE OXIDE AND CARBON MONOXIDE BASF SE (DE) 2014-01-16 US disclosed
EP-1171127-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT INC (US) 2005-09-14 EP disclosed
US-6627648-B1 Relevant nicotinic receptor subtypes to any significant degree. central nervous system disorders, are treated by administering to a patient in need thereof amine derivatives TARGACEPT, INC. 2003-09-30 US disclosed
US-6489349-B1 TREATING AN AUTOIMMUNE DISORDER WITH AN ALKYLAMINE SUBSTITUTED PYRIDINE TARGACEPT, INC. 2002-12-03 US disclosed
US-6441007-B1 TREATING CENTRAL NERVOUS SYSTEM DISORDERS WITH PYRIDYLOXYLALKYLAMINES AND PHENOXYALKYLAMINES TARGACEPT, INC. 2002-08-27 US disclosed
US-6441006-B2 NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-27 US disclosed
EP-1185513-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-03-13 EP disclosed
EP-1171127-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION Targacept, Inc. (US) 2002-01-16 EP disclosed
US-20010031771-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-10-18 US disclosed
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-08-16 US disclosed
EP-1068186-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2001-01-17 EP disclosed
US-6166048-A Pharmaceutical compositions for inhibition of cytokine production and secretion TARGACEPT, INC. (US) 2000-12-26 US disclosed
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 WO disclosed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO disclosed
WO-1999051216-A2 3-PYRIDYLOXYALKYLAMINE OR ARYLOXYALKYLAMINE DERIVATIVES AS CHOLINERGIC AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-10-14 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-20140018570-A1 PROCESS FOR PREPARING ACRYLIC ACID FROM ETHYLENE OXIDE AND CARBON MONOXIDE HPD, HAAO, HAO2 CHRNB2 2148/4885CHRNA4 1949/4885KMT2A 2773/4885
US-20010031771-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, TPMT, HTR7 CHRNB2 98/4885CHRNA4 32/4885KMT2A 810/4885
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, HNMT, CHRM3 CHRNB2 32/4885CHRNA4 34/4885KMT2A 907/4885

“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.