SCHEMBL5655866

SCHEMBL5655866

c1cncc(N2CCCNCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 1.00
CHRNA4 P43681 11/20 1.00
CHRNA7 P36544 3/20 0.56
CHRNA1 P02708 2/20 0.56
CHRNG P07510 1/20 0.56
CHRNB1 P11230 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRND Q07001 1/20 0.56

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
SCHEMBL3061045 0.97 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL3065598 0.94 CHRNB2 (0.94) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL6350076 0.92 CHRNB2 (0.91) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL30317106 0.90 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL29507540 0.89 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL3538787 0.89 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5335 0.89 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL9066315 0.87 CHRNB2 (0.84) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL161236 0.87 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL11544331 0.87 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US claimed
JP-2002543070-A 2002-12-17 JP claimed
CN-1348449-A Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2002-05-08 CN claimed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP claimed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 WO claimed
US-7282494-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2007-10-16 US disclosed
US-7064118-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-20 US disclosed
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US 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-1348449-A Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2002-05-08 CN disclosed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP disclosed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 WO 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 (2 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-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 10/4885CHRNA4 9/4885CHRNA7 2/4885
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; OGFR, CBR3, OGFRL1 CHRNB2 700/4885CHRNA4 1019/4885CHRNA7 875/4885

“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.