SCHEMBL6626577

SCHEMBL6626577

CN1C2CCCC1CN(c1ccc(I)nc1)CC2

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRNB2 P17787 6/20 0.34
CHRNB4 P30926 6/20 0.34
CHRNA3 P32297 6/20 0.34
CHRNA4 P43681 6/20 0.34
HRH3 Q9Y5N1 5/20 0.34

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
SCHEMBL6626133 0.94 CHRNB2 (0.36) L3MBTL3L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL3573719 0.93 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4HRH3
SCHEMBL5832776 0.83 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5832150 0.83 CHRNB2 (0.48) L3MBTL3L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL6626078 0.83 DPP4 (0.42) L3MBTL3L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL5832239 0.79 CHRNA7 (0.57) CHRNB2CHRNA4HRH3
SCHEMBL6624541 0.78 OGA (0.37) CHRNB2CHRNB4CHRNA3CHRNA4HRH3
SCHEMBL5832405 0.77 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6625195 0.77 DPP4 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5041409 0.77 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4

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
EP-1177196-B1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2004-03-10 EP claimed
US-6552012-B2 3-(6-Chloro-(3-pyridazinyl))-9-methyl-3,9-diazabicyclo(4.2.1)-nonane, for example; Alzheimer's disease, Parkinson's disease, memory dysfunction, smoking cessation, drug abuse, drug dependence; cholinergic ligands NEUROSEARCH A/S (DK) 2003-04-22 US 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-2000066586-A1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-09 WO claimed
CN-1210277-C Heteroaryl diazabicycloalkanes, their prepn. and use NEUROSEARCH AS (DK) 2005-07-13 CN disclosed
EP-1177196-B1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2004-03-10 EP disclosed
US-6552012-B2 3-(6-Chloro-(3-pyridazinyl))-9-methyl-3,9-diazabicyclo(4.2.1)-nonane, for example; Alzheimer's disease, Parkinson's disease, memory dysfunction, smoking cessation, drug abuse, drug dependence; cholinergic ligands NEUROSEARCH A/S (DK) 2003-04-22 US disclosed
EP-1218342-A2 MONO- AND BIS-INDOLYLQUINONES AND PROPHYLACTIC AND THERAPEUTIC USES THEREOF Sugen, Inc. (US) 2002-07-03 EP 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-2001021589-A2 MONO- AND BIS-INDOLYLQUINONES AND PROPHYLACTIC AND THERAPEUTIC USES THEREOF SUGEN, INC. (US) 2001-03-29 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 (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-20020037893-A1 Heteroaryl diazabicycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA2 L3MBTL3 4213/4885L3MBTL1 4092/4885CHRNB2 4/4885

“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.