SCHEMBL6912299

SCHEMBL6912299

C[C@H](CCC=O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
CTSK P43235 3/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MMP13 P45452 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
SCHEMBL6254448 1.00 HDAC6 (0.36) HDAC6ALOX15TSHRAAK1CTSK
SCHEMBL74866 0.83 AAK1 (0.36) HDAC6AAK1CTSKCHRNB2CHRNA4
SCHEMBL16497722 0.81 CHRNB2 (0.34) ALOX15TSHRCHRNB2CHRNA4
SCHEMBL24881082 0.81 CA1 (0.38) HDAC6AAK1CTSKCHRNB2CHRNA4
SCHEMBL618047 0.81 CHRNB2 (0.37) HDAC6AAK1CTSKCHRNB2CHRNA4
SCHEMBL23773855 0.81 CHRNB2 (0.37) HDAC6AAK1CTSKCHRNB2CHRNA4
SCHEMBL30759448 0.81 HDAC6 (0.34) HDAC6AAK1CTSKMMP13
SCHEMBL27041521 0.81 MMP13 (0.36) HDAC6AAK1CTSKMMP13
SCHEMBL27041517 0.81 MMP13 (0.36) HDAC6AAK1CTSKMMP13
SCHEMBL4325602 0.80 HDAC6 (0.32) HDAC6ALOX15TSHRCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1680326-A Pharmaceutical compositions and methods for use TARGACEPT INC (US) 2005-10-12 CN disclosed
EP-1311265-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT INC (US) 2004-12-29 EP disclosed
US-6743812-B1 2,3-DIACYLTARTARIC ACID SALTS OF E-METANICOTINE; NERVOUS SYSTEM DISORDERS; AGONISTS OF SPECIFIC NICOTINIC RECEPTOR SUBTYPES TARGACEPT, INC. 2004-06-01 US disclosed
CN-1468100-A pharmaceutical compositions and methods of use ���Ͽع����޹�˾ 2004-01-14 CN disclosed
CN-1452486-A pharmaceutical compositions and methods of use TARGACEPT INC (US) 2003-10-29 CN 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 (1 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-20030087915-A1 Pharmaceutical compositions and methods for use H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, HTR3E HDAC6 1411/4885ALOX15 514/4885TSHR 3883/4885

“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.