SCHEMBL619926

SCHEMBL619926

CC(C/C=C/c1cccnn1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.33
MMP13 P45452 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
SCHEMBL619927 1.00 AAK1 (0.33) AAK1MMP13
SCHEMBL3325118 0.80 CHRNB2 (0.49)
SCHEMBL3325125 0.80 CHRNB2 (0.49)
SCHEMBL618160 0.78 AAK1 (0.33) AAK1
SCHEMBL618159 0.78 AAK1 (0.33) AAK1
SCHEMBL7550970 0.75 PIN1 (0.40) AAK1
SCHEMBL7553195 0.75 PIN1 (0.40) AAK1
SCHEMBL7550965 0.75 PIN1 (0.40) AAK1
SCHEMBL7549401 0.74 AAK1 (0.41) AAK1
SCHEMBL7549408 0.74 AAK1 (0.41) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120041033-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MUNOZ JULIO A (US) 2012-02-16 US disclosed
US-8053451-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2011-11-08 US disclosed
EP-2371818-A1 Hydroxybenzoate salts of metanicotine compounds Targacept, Inc. (US) 2011-10-05 EP disclosed
EP-1317267-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE Targacept, Inc. (US) 2003-06-11 EP disclosed
EP-1311265-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS Targacept, Inc. (US) 2003-05-21 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-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-2002005801-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE TARGACEPT, INC. (US) 2002-01-24 WO disclosed
WO-2002005798-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT, INC. (US) 2002-01-24 WO 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 AAK1 4035/4885MMP13 1058/4885
US-20140039014-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT AAK1 4066/4885MMP13 1066/4885
US-20120041033-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT AAK1 4066/4885MMP13 1066/4885
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 AAK1 4411/4885MMP13 1201/4885
US-20140288132-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT AAK1 4035/4885MMP13 1058/4885

“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.