SCHEMBL6626896

SCHEMBL6626896

Clc1ccc(N2CCC3CCC(C2)N3)nn1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.82
▸ CHRNA4 P43681 4/20 0.82
▸ CHRNB4 P30926 3/20 0.58
▸ CHRNA3 P32297 3/20 0.58
▸ BPTF Q12830 1/20 0.55
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5036654 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3BPTF
Hydrochloric Acid SCHEMBL2491811 0.89 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3BPTF
Hydrochloric Acid SCHEMBL29692664 0.89 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3BPTF
SCHEMBL25104854 0.80 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3BPTF
SCHEMBL15379222 0.76 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3BPTF
SCHEMBL1977615 0.76 LMNA (0.59) CHRNB2CHRNA4CHRNB4CHRNA3BPTF
SCHEMBL15379224 0.76 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3BPTF
SCHEMBL1977612 0.76 LMNA (0.59) CHRNB2CHRNA4CHRNB4CHRNA3BPTF
SCHEMBL5375111 0.76 CHRNB2 (0.85) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31200657 0.76 LMNA (0.55) CHRNB2CHRNA4CHRNB4CHRNA3BPTF

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 15 patents. 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-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
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-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 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.

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