SCHEMBL5655458

SCHEMBL5655458

CCCCCOc1cncc(N2CCCNCC2)c1

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.76
CHRNA4 P43681 9/20 0.76
CHRNA1 P02708 1/20 0.53
CHRNA7 P36544 1/20 0.53

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
SCHEMBL6350361 0.99 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6360055 0.99 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6351784 0.96 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5658713 0.95 CHRNB2 (0.67) CHRNB2CHRNA4
SCHEMBL5655217 0.94 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6351536 0.93 CHRNB2 (0.80) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3453401 0.91 CHRNB2 (0.69) CHRNB2CHRNA4
SCHEMBL6351330 0.90 CHRNB2 (0.75) CHRNB2CHRNA4
SCHEMBL5655505 0.90 CHRNB2 (0.88) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5657395 0.87 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA1CHRNA7

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 18 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
US-6825189-B1 TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION NEUROSEARCH A/S (DK) 2004-11-30 US claimed
EP-1027336-B1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH AS (DK) 2004-10-06 EP claimed
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US claimed
US-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 US 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
EP-1027336-B1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH AS (DK) 2004-10-06 EP disclosed
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US disclosed
EP-0944631-B1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES BAYER HEALTHCARE AG (DE) 2004-02-18 EP disclosed
US-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 US 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 (3 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-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 7/4885CHRNA4 12/4885CHRNA1 6/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 10/4885CHRNA4 9/4885CHRNA1 6/4885
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.