SCHEMBL2080840

SCHEMBL2080840

C1=C(c2cncc(Oc3ccccc3)c2)C2CC(C1)CN2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.49
CHRNA3 P32297 13/20 0.49
CHRNB4 P30926 12/20 0.49
CHRNA4 P43681 11/20 0.49
CHRNA7 P36544 10/20 0.49
CHRNB3 Q05901 2/20 0.49
CHRNA6 Q15825 1/20 0.49
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CYP11B2 P19099 1/20 0.34
LTA4H P09960 1/20 0.32
CHRNB1 P11230 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
SCHEMBL2080838 1.00 CHRNB2 (0.49) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL2083121 0.88 CHRNB2 (0.45) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL2083124 0.88 CHRNB2 (0.45) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL2081827 0.84 CHRNA3 (0.51) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL2081829 0.84 CHRNA3 (0.51) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL2079522 0.83 CHRNB2 (0.45) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL2079523 0.83 CHRNB2 (0.45) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL2079876 0.82 CHRNB2 (0.56) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL2079872 0.82 CHRNB2 (0.56) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL2081546 0.80 CHRNB2 (0.47) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7

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 44/4885CHRNB4 51/4885
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA3 44/4885CHRNB4 51/4885
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA3 44/4885CHRNB4 51/4885
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA3 44/4885CHRNB4 51/4885

“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.