SCHEMBL3017873

SCHEMBL3017873

COc1cncc(C=CCC(C)O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.53
CHRNA4 P43681 3/20 0.53
ROCK2 O75116 3/20 0.53
MAP4K4 O95819 3/20 0.53
PRKACA P17612 3/20 0.53
ROCK1 Q13464 3/20 0.53
DYRK1A Q13627 3/20 0.53
PKN2 Q16513 3/20 0.53
CLK4 Q9HAZ1 3/20 0.53
MKNK2 Q9HBH9 3/20 0.53
STK17A Q9UEE5 3/20 0.53
NTRK3 Q16288 1/20 0.53
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
AKT1 P31749 5/20 0.39
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36

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
SCHEMBL3017868 1.00 CHRNB2 (0.53) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL3010587 0.87 CHRNB2 (0.71) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL3010584 0.87 CHRNB2 (0.71) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL3010639 0.87 CHRNB2 (0.71) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL3010633 0.87 CHRNB2 (0.71) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL7071081 0.85 ROCK2 (0.50) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL7071079 0.85 ROCK2 (0.50) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL3838406 0.85 CHRNB2 (0.53) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL3022216 0.84 ROCK2 (0.41) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL3022211 0.84 ROCK2 (0.41) CHRNB2CHRNA4ROCK2MAP4K4PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814852-B1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS CATALYST BIOSCIENCES INC (US) 2016-01-20 EP disclosed
US-8288420-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2012-10-16 US disclosed
EP-2253616-A1 Process for the preparation of compounds capable of activating cholinergic receptors Targacept, Inc. (US) 2010-11-24 EP disclosed
US-7790757-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2010-09-07 US disclosed
US-20100222395-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-09-02 US disclosed
US-20100204481-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-08-12 US disclosed
US-20100160390-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-06-24 US disclosed
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-05-13 US disclosed
US-20080214628-A1 Compounds Capable of Activating Cholinergic Receptors CALDWELL WILLIAM SCOTT 2008-09-04 US disclosed
US-20080139809-A1 Compounds Capable of Activating Cholinergic Receptors CALDWELL WILLIAM SCOTT 2008-06-12 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
US-20050131034-A1 Compounds capable of activating cholinergic receptors CALDWELL WILLIAM S (US) 2005-06-16 US disclosed
EP-1086082-B9 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2005-03-02 EP disclosed
US-20040214835-A1 Compounds capable of activating cholinergic receptors CALDWELL WILLIAM SCOTT (US) 2004-10-28 US disclosed
EP-1086082-B1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2004-08-18 EP 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-20020052497-A1 Compounds capable of activating cholinergic receptors TARGACEPT, INC. 2002-05-02 US disclosed
US-6232316-B1 SUCH AS PARKINSON'S DISEASE, TOURETTE'S SYNDROME, SCHIZOPHRENIA, AND SENILE DEMENTIA OF ALZHEIMERS DISEASE TARGACEPT, INC. 2001-05-15 US 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 (11 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 1/4885ROCK2 2176/4885
US-20100222395-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885ROCK2 2176/4885
US-20050131034-A1 Compounds capable of activating cholinergic receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885ROCK2 2187/4885
US-20050148611-A1 Compounds capable of activating cholinergic receptors CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885ROCK2 2196/4885
US-20100204481-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885ROCK2 2176/4885
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 CHRNB2 9/4885CHRNA4 7/4885ROCK2 3629/4885
US-20080139809-A1 Compounds Capable of Activating Cholinergic Receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885ROCK2 2176/4885
US-20080214628-A1 Compounds Capable of Activating Cholinergic Receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885ROCK2 2176/4885
US-20040214835-A1 Compounds capable of activating cholinergic receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885ROCK2 2176/4885
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885ROCK2 2196/4885
US-20100160390-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885ROCK2 2176/4885

“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.