SCHEMBL1769655

SCHEMBL1769655

CN1C(COc2ccc(C(N)=O)nc2)CC2CC21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.66
CHRNA4 P43681 12/20 0.66
CHRNA3 P32297 3/20 0.41
CHRNB1 P11230 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNB3 Q05901 2/20 0.39
PDE10A Q9Y233 1/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL1769529 0.89 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL14776559 0.81 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL14776666 0.80 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL14776776 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL14776261 0.79 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL1769296 0.78 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL14776556 0.78 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL1769412 0.77 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL14776264 0.76 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL1769611 0.75 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513085-B1 BICYCLIC COMPOUNDS AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2016-09-28 EP claimed
US-8735423-B2 Bicyclic compounds as α4β2 nicotinic acetylcholine receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2014-05-27 US claimed
US-20130072518-A1 BICYCLIC COMPOUNDS AS alpha4 beta2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Suven Life Science Limited (IN) 2013-03-21 US claimed
EP-2513085-B1 BICYCLIC COMPOUNDS AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2016-09-28 EP disclosed
US-8735423-B2 Bicyclic compounds as α4β2 nicotinic acetylcholine receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2014-05-27 US disclosed
US-20130072518-A1 BICYCLIC COMPOUNDS AS alpha4 beta2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Suven Life Science Limited (IN) 2013-03-21 US disclosed
EP-2513085-A1 BICYCLIC COMPOUNDS AS alpha4beta2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-10-24 EP disclosed
WO-2011061751-A1 BICYCLIC COMPOUNDS AS α4β2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-05-26 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 (1 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-20130072518-A1 BICYCLIC COMPOUNDS AS alpha4 beta2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA4, CHRNB4, CHRNA2 CHRNB2 7/4885CHRNA4 1/4885CHRNA3 11/4885

“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.