SCHEMBL3453535

SCHEMBL3453535

CC=COc1cncc(N2CCNCC2)c1

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.90
CHRNA4 P43681 9/20 0.90
CHRNA1 P02708 1/20 0.47
CHRNA7 P36544 1/20 0.47

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
SCHEMBL3454131 1.00 CHRNB2 (0.90) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3453534 1.00 CHRNB2 (0.90) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6347055 0.95 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5655603 0.95 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6350045 0.92 CHRNB2 (0.95) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6358997 0.92 CHRNB2 (0.95) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5659334 0.85 CHRNB2 (0.76) CHRNB2CHRNA4
SCHEMBL3453243 0.84 CHRNB2 (0.66) CHRNB2CHRNA4
SCHEMBL3453655 0.84 CHRNB2 (0.66) CHRNB2CHRNA4
SCHEMBL3453658 0.84 CHRNB2 (0.66) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1491532-B1 Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetyloholine receptors NEUROSEARCH AS (DK) 2010-12-15 EP claimed
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US claimed
EP-1491532-B1 Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetyloholine receptors NEUROSEARCH AS (DK) 2010-12-15 EP disclosed
US-6897219-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2005-05-24 US disclosed
US-6825189-B1 TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION NEUROSEARCH A/S (DK) 2004-11-30 US disclosed
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US disclosed
CN-1131211-C Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH AS (DK) 2003-12-17 CN disclosed
CN-1277604-A Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH AS (DK) 2000-12-20 CN 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-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; OGFR, CBR3, OGFRL1 CHRNB2 700/4885CHRNA4 1019/4885CHRNA1 477/4885

“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.