SCHEMBL2081827

SCHEMBL2081827

C1=C(c2cncc(-c3ccccc3)c2)C2CC(C1)CN2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 4/20 0.51
CHRNB2 P17787 4/20 0.51
CHRNA4 P43681 3/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA7 P36544 2/20 0.44
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ATM Q13315 1/20 0.35
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33

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
SCHEMBL2081829 1.00 CHRNA3 (0.51) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL2078558 0.87 CHRNB2 (0.52) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL2078561 0.87 CHRNB2 (0.52) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL2080840 0.84 CHRNB2 (0.49) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL2080838 0.84 CHRNB2 (0.49) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL2080987 0.83 CHRNB2 (0.47) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL2080984 0.83 CHRNB2 (0.47) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL2081117 0.82 CHRNB2 (0.46) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL2081119 0.82 CHRNB2 (0.46) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL2083084 0.80 CHRNB2 (0.52) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897611-B2 Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders TARGACEPT, INC. (US) 2011-03-01 US disclosed
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2010-07-15 US disclosed
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2010-06-17 US disclosed
EP-1678172-B1 AZABICYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2009-12-09 EP disclosed
US-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders TARGACEPT, INC. (US) 2008-10-02 US disclosed
US-7402592-B2 Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders TARGACEPT, INC. (US) 2008-07-22 US disclosed
EP-1678172-A2 AZABICYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS Targacept, Inc. (US) 2006-07-12 EP disclosed
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2005-12-22 US disclosed
WO-2005037832-A2 AZABICYCYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2005-04-28 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-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders OPRL1, OPRK1, COMT CHRNA3 44/4885CHRNB2 25/4885CHRNA4 68/4885
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNA3 44/4885CHRNB2 25/4885CHRNA4 68/4885
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNA3 44/4885CHRNB2 25/4885CHRNA4 68/4885
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNA3 44/4885CHRNB2 25/4885CHRNA4 68/4885

“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.