SCHEMBL1769289

SCHEMBL1769289

Cc1ncccc1OCC1CCC2CC2N1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.60
CHRNA4 P43681 12/20 0.60
CHRNB4 P30926 3/20 0.60
CHRNA3 P32297 3/20 0.60
CYP2D6 P10635 3/20 0.51
CHRNB1 P11230 1/20 0.49
CHRNB3 Q05901 1/20 0.49
CYP3A4 P08684 1/20 0.46

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
SCHEMBL18092156 0.89 CHRNB2 (0.71) CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6
Hydrochloric Acid SCHEMBL1769213 0.88 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6
Hydrochloric Acid SCHEMBL15727076 0.88 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6
SCHEMBL1769281 0.78 CHRNB2 (0.78) CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6
SCHEMBL7373407 0.77 CHRNB2 (0.81) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL905231 0.77 CHRNB2 (0.81) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL1769283 0.76 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6
Hydrochloric Acid SCHEMBL7415362 0.76 CHRNB2 (0.78) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
Hydrochloric Acid SCHEMBL7450656 0.76 CHRNB2 (0.78) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL16039213 0.75 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1

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 1/4885CHRNB4 2/4885

“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.