SCHEMBL2083138

SCHEMBL2083138

COc1cncc(C2=CC3CNCC2C3)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 15/20 0.62
CHRNA3 P32297 15/20 0.62
CHRNB2 P17787 15/20 0.62
CHRNA4 P43681 15/20 0.62
CHRNA7 P36544 12/20 0.62
CHRNB3 Q05901 2/20 0.46
CHRNA6 Q15825 2/20 0.46
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2081930 0.86 CHRNB2 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2081201 0.82 CHRNB2 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2081912 0.82 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2080336 0.79 CHRNB2 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2080339 0.79 CHRNB2 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
Trifluoroacetic Acid SCHEMBL2081583 0.77 CHRNB2 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2081828 0.77 CHRNA3 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2081167 0.76 CHRNB2 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2081164 0.76 CHRNB2 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2080879 0.76 CHRNB2 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7

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

“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.