SCHEMBL6349656

SCHEMBL6349656

COc1cncc(N2CCCNC2)c1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.83
CHRNA4 P43681 12/20 0.83
CHRNB4 P30926 4/20 0.49
CHRNA3 P32297 4/20 0.49
CHRNA1 P02708 1/20 0.48
CHRNA7 P36544 1/20 0.48

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
SCHEMBL6352766 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6348961 0.91 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5664269 0.88 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3060458 0.81 CHRNB2 (0.88) CHRNB2CHRNA4
SCHEMBL7167940 0.81 CHRNB2 (0.77) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6359037 0.78 CHRNB2 (0.71) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6352379 0.78 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1556496 0.76 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL6350116 0.75 CHRNB2 (0.72) CHRNB2CHRNA4
SCHEMBL6351595 0.75 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3

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
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US claimed
EP-1027336-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2000-08-16 EP claimed
WO-1999021834-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 1999-05-06 WO claimed
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
EP-1027336-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2000-08-16 EP disclosed
WO-1999021834-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 1999-05-06 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-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; OGFR, CBR3, OGFRL1 CHRNB2 700/4885CHRNA4 1019/4885CHRNB4 1055/4885

“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.