SCHEMBL5196572

SCHEMBL5196572

C=CCC(CC)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.45
▸ CTSS P25774 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL7743860 0.91 CTSK (0.49) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL12290180 0.87 CTSK (0.45) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL211054 0.87 CTSK (0.45) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL211053 0.87 CTSK (0.45) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL11137176 0.85 CTSK (0.44) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL22960729 0.85 CTSK (0.48) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL29955586 0.85 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL1722623 0.85 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL7275539 0.84 CTSK (0.43) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL17866121 0.84 CTSK (0.43) CTSKCTSSSMN1; SMN2CA1CA2

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
WO-2019144912-A1 β-LACTAMASE INHIBITOR AND USE THEREOF 苏州信诺维医药科技有限公司 2019-08-01 — — WO disclosed
EP-1814852-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 — — EP disclosed
EP-1814853-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 — — EP disclosed
WO-2007055928-A1 5-MEMBERED RING METANICOTINE ANALOGS TARGACEPT, INC. (US) 2007-05-18 — — WO disclosed
WO-2006053082-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 — — WO disclosed
WO-2006053039-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 — — WO disclosed
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 — — EP disclosed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 — — WO disclosed
EP-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 — — 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
EP-1086082-A1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 2001-03-28 — — EP disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 — — 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
EP-1042274-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-10-11 — — EP disclosed
WO-2000023418-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 — — WO disclosed
WO-1999065876-A1 ARYL SUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-12-23 — — WO disclosed
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