SCHEMBL3322749

SCHEMBL3322749

CC(C/C=C/c1ccc[n+]([O-])c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.34
AAK1 Q2M2I8 1/20 0.32
ADAM17 P78536 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3322756 1.00 MMP13 (0.34) MMP13AAK1ADAM17MEN1KMT2A
SCHEMBL7099544 0.81 PDK2 (0.33) MMP13MEN1KMT2A
SCHEMBL7098975 0.81 CHRNB2 (0.33) MMP13AAK1
SCHEMBL6458723 0.79 CA2 (0.38) MMP13AAK1
SCHEMBL7550965 0.78 PIN1 (0.40) AAK1
SCHEMBL3325125 0.78 CHRNB2 (0.49) MEN1KMT2A
SCHEMBL7550970 0.78 PIN1 (0.40) AAK1
SCHEMBL7553195 0.78 PIN1 (0.40) AAK1
SCHEMBL3325118 0.78 CHRNB2 (0.49) MEN1KMT2A
SCHEMBL7529058 0.75 SYK (0.40) MMP13AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253616-A1 Process for the preparation of compounds capable of activating cholinergic receptors Targacept, Inc. (US) 2010-11-24 EP disclosed
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-05-13 US disclosed
US-20060293289-A1 Compounds Capable of Activating Cholinergic Receptors CALDWELL WILLIAM S 2006-12-28 US disclosed
US-7045538-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2006-05-16 US disclosed
US-6979695-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2005-12-27 US disclosed
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP disclosed
US-20050148611-A1 Compounds capable of activating cholinergic receptors CALDWELL WILLIAM S (US) 2005-07-07 US disclosed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO disclosed
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders TARGACEPT, INC. 2003-07-03 US 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
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-20050148611-A1 Compounds capable of activating cholinergic receptors CHRM3, CHRM5, CHRM4 MMP13 4060/4885AAK1 3613/4885ADAM17 3791/4885
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 MMP13 3712/4885AAK1 3270/4885ADAM17 4125/4885
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 MMP13 1201/4885AAK1 4411/4885ADAM17 3448/4885
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRM3, CHRM5, CHRM4 MMP13 4060/4885AAK1 3613/4885ADAM17 3791/4885
US-20060293289-A1 Compounds Capable of Activating Cholinergic Receptors CHRM3, CHRM5, CHRM4 MMP13 4060/4885AAK1 3613/4885ADAM17 3791/4885

“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.