SCHEMBL905210

SCHEMBL905210

CCOc1cncc(C=CCC(C)NC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.74
CHRNA4 P43681 3/20 0.74
CHRNB4 P30926 1/20 0.64
CHRNA3 P32297 1/20 0.64
CHRNA7 P36544 1/20 0.64
AKT1 P31749 5/20 0.41
ROCK2 O75116 3/20 0.37
MAP4K4 O95819 3/20 0.37
PRKACA P17612 3/20 0.37
ROCK1 Q13464 3/20 0.37
DYRK1A Q13627 3/20 0.37
PKN2 Q16513 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
MKNK2 Q9HBH9 3/20 0.37
STK17A Q9UEE5 3/20 0.37
DYRK3 O43781 2/20 0.37
PRKD3 O94806 2/20 0.37
PIM1 P11309 2/20 0.37
CLK2 P49760 2/20 0.37
PRKX P51817 2/20 0.37

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
SCHEMBL1421803 1.00 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL905209 1.00 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1421800 1.00 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL621496 0.86 CHRNB2 (0.78) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL620296 0.86 CHRNB2 (0.78) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL617912 0.86 CHRNB2 (0.78) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL621495 0.86 CHRNB2 (0.78) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL617913 0.86 CHRNB2 (0.78) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL620297 0.86 CHRNB2 (0.78) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Ispronicline SCHEMBL366585 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4240815-B2 2009-03-18 JP claimed
JP-2006511482-A 2006-04-06 JP claimed
US-6979695-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2005-12-27 US claimed
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP claimed
EP-1086082-B9 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2005-03-02 EP claimed
US-20040214835-A1 Compounds capable of activating cholinergic receptors CALDWELL WILLIAM SCOTT (US) 2004-10-28 US claimed
EP-1086082-B1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2004-08-18 EP claimed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO claimed
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders TARGACEPT, INC. 2003-07-03 US claimed
JP-2002518373-A 2002-06-25 JP claimed
US-20020052497-A1 Compounds capable of activating cholinergic receptors TARGACEPT, INC. 2002-05-02 US claimed
EP-1086082-A1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 2001-03-28 EP claimed
WO-1999065876-A1 ARYL SUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-12-23 WO claimed
US-20180092916-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE UNIVERSITY OF SOUTH FLORIDA (US) 2018-04-05 US disclosed
US-9782404-B2 Methods of treating disease-induced ataxia and non-ataxic imbalance UNIVERSITY OF SOUTH FLORIDA (US) 2017-10-10 US disclosed
US-9463190-B2 Methods of treating disease-induced ataxia and non-ataxic imbalance UNIVERSITY OF SOUTH FLORIDA (US) 2016-10-11 US 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
EP-1056458-A1 METHOD FOR THE TREATMENT OF PAIN, INCLUDING CHRONIC AND FEMALE SPECIFIC PAIN Wake Forest University (US) 2000-12-06 EP 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
WO-1999043322-A1 METHOD FOR THE TREATMENT OF PAIN, INCLUDING CHRONIC AND FEMALE SPECIFIC PAIN WAKE FOREST UNIVERSITY (US) 1999-09-02 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 (4 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-20020052497-A1 Compounds capable of activating cholinergic receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885CHRNB4 2/4885
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 CHRNB2 9/4885CHRNA4 7/4885CHRNB4 14/4885
US-20180092916-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE CHRNA6, CHRNA7, CHRNA2 CHRNB2 9/4885CHRNA4 7/4885CHRNB4 10/4885
US-20040214835-A1 Compounds capable of activating cholinergic receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885CHRNB4 2/4885

“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.