SCHEMBL1769428

SCHEMBL1769428

CC(Oc1ccc(N)nc1)C1CC2CC2N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 0.42
CHRNA4 P43681 17/20 0.42
CYP2D6 P10635 6/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
CYP3A4 P08684 1/20 0.32
MPO P05164 1/20 0.31
TPO P07202 1/20 0.31
EPX P11678 1/20 0.31
LPO P22079 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL1769276 0.84 CHRNB2 (0.43) CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3
SCHEMBL14776787 0.77 CHRNB2 (0.52) CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3
SCHEMBL27211391 0.75 NOS3 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3MPO
SCHEMBL30473736 0.75 NOS3 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3MPO
SCHEMBL1769225 0.71 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3MPO
SCHEMBL1000603 0.71 NOS3 (0.46) MPOTPOEPXLPO
Hydrochloric Acid SCHEMBL710140 0.69 NOS3 (0.45) CYP2D6MPOTPOEPXLPO
SCHEMBL1769429 0.69 CHRNB2 (0.72) CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3
SCHEMBL13075015 0.64 MCHR1 (0.45) MPOTPOEPXLPO
SCHEMBL7406955 0.64 CHRNB2 (0.39) CHRNB2CHRNA4

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 1/4885CYP2D6 475/4885

“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.