SCHEMBL2079907

SCHEMBL2079907

C1=C(c2cncc(Oc3ccccc3)c2)CC2CC1CCN2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 18/20 0.61
CHRNA4 P43681 18/20 0.61
CHRNB4 P30926 16/20 0.61
CHRNA3 P32297 16/20 0.61
CHRNA7 P36544 15/20 0.61
CHRNB3 Q05901 3/20 0.61
CHRNA6 Q15825 3/20 0.61
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL2079958 0.90 CHRNB2 (0.71) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL2080363 0.88 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2083205 0.84 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2082147 0.83 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2080942 0.83 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2080221 0.81 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2083217 0.80 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2083220 0.80 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2079555 0.79 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2079539 0.76 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 25/4885CHRNA4 68/4885CHRNB4 51/4885
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA4 68/4885CHRNB4 51/4885
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA4 68/4885CHRNB4 51/4885
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA4 68/4885CHRNB4 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.