SCHEMBL3021300

SCHEMBL3021300

CCOc1cncc(C=CCC(C)N(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
AKT1 P31749 5/20 0.34
RET P07949 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
DYRK3 O43781 2/20 0.31
ROCK2 O75116 2/20 0.31
PRKD3 O94806 2/20 0.31
MAP4K4 O95819 2/20 0.31
PIM1 P11309 2/20 0.31
PRKACA P17612 2/20 0.31

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
SCHEMBL3021298 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL618865 0.88 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL618864 0.88 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2331391 0.88 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7516683 0.88 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL578567 0.88 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7097849 0.86 CHRNB2 (0.36) CHRNB2CHRNA4AAK1KDM4EALDH1A1
SCHEMBL617955 0.84 AAK1 (0.39) CHRNB2CHRNA4AAK1SMN1; SMN2
SCHEMBL617956 0.84 AAK1 (0.39) CHRNB2CHRNA4AAK1SMN1; SMN2
SCHEMBL7170702 0.82 AAK1 (0.33) CHRNB2CHRNA4AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7307092-B2 Compounds Capable of Activating Cholinergic Receptors TARGACEPT, INC. (US) 2007-12-11 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 1/4885CHRNB4 2/4885
US-20100222395-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885CHRNB4 2/4885
US-20050131034-A1 Compounds capable of activating cholinergic receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885CHRNB4 2/4885
US-20050148611-A1 Compounds capable of activating cholinergic receptors CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885CHRNB4 13/4885
US-20100204481-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-20080139809-A1 Compounds Capable of Activating Cholinergic Receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885CHRNB4 2/4885
US-20080214628-A1 Compounds Capable of Activating Cholinergic Receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885CHRNB4 2/4885
US-20040214835-A1 Compounds capable of activating cholinergic receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885CHRNB4 2/4885
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885CHRNB4 13/4885
US-20100160390-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.