SCHEMBL2081673

SCHEMBL2081673

Clc1ccc(C2CCC3CC(CC2)N3)cn1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.64
CHRNA4 P43681 10/20 0.64
CHRNA3 P32297 7/20 0.64
CHRNB4 P30926 6/20 0.64
CHRNA7 P36544 5/20 0.64
ALDH1A1 P00352 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CHRNA2 Q15822 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
CHRNA1 P02708 1/20 0.64
CHRNG P07510 1/20 0.64
CHRNB1 P11230 1/20 0.64
HPGD P15428 1/20 0.64
CHRND Q07001 1/20 0.64
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL30847846 0.89 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1481609 0.89 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Cyanide SCHEMBL27676360 0.83 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL21354925 0.81 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1962531 0.81 KMT2A (0.51) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL25330905 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL28849502 0.79 KMT2A (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Epibatidine SCHEMBL316978 0.78 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Epibatidine SCHEMBL9070584 0.78 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Epibatidine SCHEMBL29390446 0.78 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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 7 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
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2005-12-22 US 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 68/4885CHRNA3 44/4885
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA4 68/4885CHRNA3 44/4885
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA4 68/4885CHRNA3 44/4885
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNB2 25/4885CHRNA4 68/4885CHRNA3 44/4885

“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.