SCHEMBL3202084

SCHEMBL3202084

Clc1ccc(N2CCN3CCC2CC3)nn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
BPTF Q12830 1/20 0.44
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3183343 0.80 CHRNA7 (0.40) CHRNB4CHRNA3
SCHEMBL7512345 0.75 CHRNA7 (0.52) CHRNB4CHRNA3
SCHEMBL5345347 0.73 CHRNA7 (0.36) CHRNB4CHRNA3
SCHEMBL3195388 0.73 CHRNA7 (0.40) CHRNB4CHRNA3
SCHEMBL6979185 0.72 KDM4E (0.45) CYP1A2CHRNB4CHRNA3KMT2A
SCHEMBL3243948 0.72 CHRNA7 (0.39)
SCHEMBL3242660 0.72 BCAT2 (0.42)
SCHEMBL3243643 0.71 GRM5 (0.51)
SCHEMBL5112373 0.71 CHRNA7 (0.48) CHRNB4CHRNA3
SCHEMBL5354327 0.71 NPC1 (0.57) LMNAKMT2A

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
US-8236793-B2 Diazabicyclic aryl derivatives as cholinergic receptor modulators NEUROSEARCH A/S (DK) 2012-08-07 US disclosed
US-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS ANIONA APS (DK) 2010-05-06 US disclosed
EP-2172469-A1 Diazabicyclic aryl derivatives as cholinergic receptor modulators NeuroSearch A/S (DK) 2010-04-07 EP disclosed
US-7674899-B2 Dimeric azacyclic compounds and their use NEUROSEARCH A/S (DK) 2010-03-09 US disclosed
US-7662808-B2 N-[4-(1,4-Diaza-bicyclo[3.2.2]non-4-yl)-phenyl]-benzamide; disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse NEUROSEARCH A/S (DK) 2010-02-16 US disclosed
EP-1713487-B1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2009-12-02 EP disclosed
EP-1713809-B1 DIMERIC AZACYCLIC COMPOUNDS AND THEIR USE NEUROSEARCH AS (DK) 2009-07-29 EP disclosed
US-20080242668-A1 Dimeric Azacyclic Compounds and Their Use NEUROSEARCH A/S (DK) 2008-10-02 US disclosed
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators ANIONA APS (DK) 2008-09-18 US disclosed
EP-1713809-A1 DIMERIC AZACYCLIC COMPOUNDS AND THEIR USE NEUROSEARCH A/S (DK) 2006-10-25 EP disclosed
EP-1713487-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2006-10-25 EP disclosed
WO-2005075479-A1 DIMERIC AZACYCLIC COMPOUNDS AND THEIR USE NEUROSEARCH A/S (DK) 2005-08-18 WO disclosed
WO-2005074940-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2005-08-18 WO disclosed
EP-1135389-B1 1,4-DIAZABICYCLO 3.2.2]NONANE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION SANOFI SYNTHELABO (FR) 2003-09-10 EP disclosed
US-6407095-B1 TREATING NICOTINIC RECEPTOR, GASTROINTESTINAL, NERVOUS SYSTEM, PSYCHOLOGICAL, AND BRAIN DISORDERS SANOFI-SYNTHELABO (FR) 2002-06-18 US 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-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS CHRNA6, CHRNA10, CHRNA2 CYP1A2 688/4885LMNA 2673/4885HTT 555/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 CYP1A2 695/4885LMNA 2706/4885HTT 556/4885
US-20080242668-A1 Dimeric Azacyclic Compounds and Their Use CHRNA6, CHRNA5, CHRNA10 CYP1A2 577/4885LMNA 659/4885HTT 1854/4885

“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.