SCHEMBL2080133

SCHEMBL2080133

C1=C(c2cncc(-c3ccccc3)c2)C2CC1CCN2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.48
CHRNA3 P32297 4/20 0.48
CHRNA4 P43681 3/20 0.46
CHRNB4 P30926 3/20 0.44
CHRNA7 P36544 2/20 0.44
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
GRM5 P41594 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CHRNB1 P11230 1/20 0.32
CHRNB3 Q05901 1/20 0.32

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
SCHEMBL2079555 0.84 CHRNB2 (0.49) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2080382 0.83 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2082397 0.80 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2078558 0.79 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2078561 0.79 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2081803 0.78 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2082712 0.77 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2083205 0.76 CHRNB2 (0.57) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2078535 0.76 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2082485 0.74 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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 10 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
WO-2005037832-A9 AZABICYCYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS 2006-01-26 WO 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 CHRNB2 25/4885CHRNA3 44/4885CHRNA4 68/4885
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA3 44/4885CHRNA4 68/4885
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA3 44/4885CHRNA4 68/4885
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA3 44/4885CHRNA4 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.