SCHEMBL620192

SCHEMBL620192

CNC(C)C/C=C/c1cnc(N)nc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.56
CHRNA4 P43681 2/20 0.56
HTR2A P28223 3/20 0.36
MASP2 O00187 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
SCHEMBL620193 1.00 CHRNB2 (0.56) CHRNB2CHRNA4HTR2AMASP2
SCHEMBL3326235 0.83 CHRNB2 (0.56) CHRNB2CHRNA4HTR2A
SCHEMBL3326239 0.83 CHRNB2 (0.56) CHRNB2CHRNA4HTR2A
SCHEMBL3326232 0.83 CHRNB2 (0.56) CHRNB2CHRNA4HTR2A
SCHEMBL2436966 0.81 CHRNB2 (0.67) CHRNB2CHRNA4HTR2A
SCHEMBL621574 0.81 CHRNB2 (0.67) CHRNB2CHRNA4HTR2A
SCHEMBL621573 0.81 CHRNB2 (0.67) CHRNB2CHRNA4HTR2A
SCHEMBL620187 0.81 CHRNB2 (0.67) CHRNB2CHRNA4HTR2A
SCHEMBL2436962 0.81 CHRNB2 (0.67) CHRNB2CHRNA4HTR2A
SCHEMBL620186 0.81 CHRNB2 (0.67) CHRNB2CHRNA4HTR2A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101068784-A Hydroxybenzoate salts of metanicotine compounds TARGACEPT INC (US) 2007-11-07 CN claimed
EP-1814853-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 EP claimed
US-20060122238-A1 Hydroxybenzoate salts of metanicotine compounds DULL GARY M 2006-06-08 US claimed
WO-2006053039-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 WO claimed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP claimed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 WO claimed
US-20150313883-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT INC (US) 2015-11-05 US disclosed
US-9107915-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2015-08-18 US disclosed
US-20140288132-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT INC (US) 2014-09-25 US disclosed
US-8778978-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2014-07-15 US disclosed
US-20140039014-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2014-02-06 US disclosed
US-8580826-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2013-11-12 US disclosed
EP-2371818-B1 Hydroxybenzoate salts of metanicotine compounds TARGACEPT INC (US) 2012-12-26 EP disclosed
US-20030087915-A1 Pharmaceutical compositions and methods for use DULL GARY MAURICE (US) 2003-05-08 US disclosed
US-6492399-B1 SUCH AS N-METHYL-4-(3-(5-NITRO-6-AMINOPYRIDIN)YL)-3-BUTEN-1-AMINE; NICOTINIC CHOLINERGIC RECEPTOR AGONISTS TARGACEPT, INC. 2002-12-10 US disclosed
US-6492399-B1 SUCH AS N-METHYL-4-(3-(5-NITRO-6-AMINOPYRIDIN)YL)-3-BUTEN-1-AMINE; NICOTINIC CHOLINERGIC RECEPTOR AGONISTS TARGACEPT, INC. 2002-12-10 US disclosed
US-6455554-B1 COMPOUNDS CAPABLE OF AFFECTING NICOTINIC CHOLINERGIC RECEPTORS; TREATOMG CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-09-24 US disclosed
US-6432954-B1 CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-13 US disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 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 (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-20150313883-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT CHRNB2 573/4885CHRNA4 1876/4885HTR2A 1033/4885
US-20140039014-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT CHRNB2 564/4885CHRNA4 1861/4885HTR2A 964/4885
US-20030087915-A1 Pharmaceutical compositions and methods for use H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, HTR3E CHRNB2 227/4885CHRNA4 145/4885HTR2A 37/4885
US-20140288132-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT CHRNB2 573/4885CHRNA4 1876/4885HTR2A 1033/4885
US-20060122238-A1 Hydroxybenzoate salts of metanicotine compounds MAOB, SLC6A3, HTT CHRNB2 564/4885CHRNA4 1861/4885HTR2A 964/4885

“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.