SCHEMBL1769283

SCHEMBL1769283

c1cncc(OCC2CCC3CC3N2)c1

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 0.97
CHRNA4 P43681 17/20 0.97
CHRNA3 P32297 8/20 0.97
CHRNB4 P30926 7/20 0.97
CYP2D6 P10635 6/20 0.78
CYP3A4 P08684 2/20 0.78
CHRNA7 P36544 2/20 0.62
CHRNA1 P02708 1/20 0.62
CHRNG P07510 1/20 0.62
CHRNB1 P11230 1/20 0.62
CHRND Q07001 1/20 0.62

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
Hydrochloric Acid SCHEMBL14776462 0.99 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CYP2D6
SCHEMBL14776527 0.89 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CYP2D6
Hydrochloric Acid SCHEMBL1769282 0.88 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CYP2D6
Hydrochloric Acid SCHEMBL15727056 0.88 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CYP2D6
SCHEMBL1769281 0.81 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA3CHRNB4CYP2D6
SCHEMBL14776373 0.77 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CYP2D6
SCHEMBL401138 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CYP2D6
SCHEMBL29615733 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CYP2D6
SCHEMBL676026 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CYP2D6
SCHEMBL905208 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CYP2D6

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
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-A1 BICYCLIC COMPOUNDS AS alpha4beta2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-10-24 EP claimed
WO-2011061751-A1 BICYCLIC COMPOUNDS AS α4β2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-05-26 WO 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.