SCHEMBL5832447

SCHEMBL5832447

CN1C2CCCC1CN(c1cccnc1)CC2

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.50
CHRNA4 P43681 6/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRM4 P08173 1/20 0.47
CHRNA7 P36544 1/20 0.44

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
SCHEMBL5375837 0.94 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3567497 0.93 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Fumaric Acid SCHEMBL27491915 0.89 GPR119 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
Fumaric Acid SCHEMBL27491916 0.83 GPR119 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3
Fumaric Acid SCHEMBL29523234 0.82 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5832799 0.81 CDK4 (0.42)
SCHEMBL5832304 0.81 HRH3 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL5832850 0.81 CHRM4 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL5832971 0.81 POLB (0.39) CHRM4
SCHEMBL5043503 0.80 MMP1 (0.42) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1210277-C Heteroaryl diazabicycloalkanes, their prepn. and use NEUROSEARCH AS (DK) 2005-07-13 CN claimed
EP-1177196-B1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2004-03-10 EP claimed
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US claimed
CN-1440411-A Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2003-09-03 CN claimed
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP claimed
JP-2002543201-A 2002-12-17 JP claimed
CN-1349533-A Heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2002-05-15 CN claimed
US-20020037893-A1 Heteroaryl diazabicycloalkanes, their preparation and use ANIONA APS (DK) 2002-03-28 US claimed
EP-1177196-A1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-02-06 EP claimed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 WO claimed
WO-2000066586-A1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-09 WO claimed
US-7060699-B2 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-13 US disclosed
CN-1210277-C Heteroaryl diazabicycloalkanes, their prepn. and use NEUROSEARCH AS (DK) 2005-07-13 CN disclosed
EP-1301514-B1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2005-01-26 EP disclosed
CN-1185233-C Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2005-01-19 CN disclosed
CN-1349533-A Heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2002-05-15 CN disclosed
US-20020037893-A1 Heteroaryl diazabicycloalkanes, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
EP-1177196-A1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-02-06 EP disclosed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 WO disclosed
WO-2000066586-A1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-09 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-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use CHRNA7, CHRNA5, CHRNA2 CHRNB2 6/4885CHRNA4 9/4885CHRNB4 11/4885
US-20020037893-A1 Heteroaryl diazabicycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA2 CHRNB2 4/4885CHRNA4 13/4885CHRNB4 14/4885

“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.