SCHEMBL2955795

SCHEMBL2955795

c1ccc(CN2CC3CC(C2)CN(Cc2ccccc2)C3)cc1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.60
SIGMAR1 Q99720 1/20 0.58
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
S1PR1 P21453 1/20 0.51
S1PR5 Q9H228 1/20 0.51
ACHE P22303 1/20 0.50
GBA1 P04062 1/20 0.50
CXCR3 P49682 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL20488466 0.96 FUCA1 (0.60) FUCA1SIGMAR1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL20488123 0.94 FUCA1 (0.58) FUCA1SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL21793950 0.92 FUCA1 (0.56) FUCA1SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL5750271 0.92 FUCA1 (0.56) FUCA1SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL21793953 0.92 FUCA1 (0.56) FUCA1SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL25900100 0.91 MC4R (0.55) FUCA1SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL6202706 0.91 ACHE (0.56) FUCA1SIGMAR1ACHECXCR3CYP1A2
SCHEMBL6742086 0.88 FUCA1 (0.53) FUCA1SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9271837 0.88 FUCA1 (0.49) FUCA1SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL6202941 0.87 FUCA1 (0.60) FUCA1SIGMAR1S1PR1S1PR5ACHE

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41439-E1 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2010-07-13 US disclosed
US-6887881-B1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1289996-B1 HETEROARYLDIAZABICYCLOALKANES AS NICOTINIC CHOLINERGIC RECEPTOR LIGANDS TARGACEPT INC (US) 2005-04-06 EP disclosed
EP-1274710-B1 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH AS (DK) 2005-02-23 EP disclosed
EP-1397365-B1 HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NEUROSEARCH AS (DK) 2005-02-16 EP disclosed
US-6852721-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-02-08 US disclosed
US-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2005-01-06 US disclosed
US-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 US disclosed
US-6815438-B2 CENTRAL NERVOUS SYSTEM DISORDERS NEUROSEARCH A/S (DK) 2004-11-09 US disclosed
US-20040147505-A1 Novel heteroaryl-diazabicyclo alkanes as cns-modulators NEUROSEARCH A/S (DK) 2004-07-29 US disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed
WO-2001044243-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH A/S (DK) 2001-06-21 WO disclosed
WO-2000076998-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed
WO-2000076999-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed
US-5268481-A Containing a benzene ring BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGE ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY (US) 1993-12-07 US disclosed
US-5043445-A Bis-1,3-diazine heterocyclic derivatives as antiarrhythmic agents OKLAHOMA STATE UNIVERSITY (US) 1991-08-27 US disclosed
US-4980468-A ANTIARRHYTHMIC AGENTS BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGES ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY (US) 1990-12-25 US disclosed
US-4910311-A Containing a phenyl or thiophene ring BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL MECHANICAL COLLEGES, ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIV. (US) 1990-03-20 US disclosed
US-4778892-A Certain 3-selena-7-aza-bicyclo[3.3.1]nonanes as antiarrhythmic agents OKLAHOMA STATE UNIVERSITY (US) 1988-10-18 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-20040147505-A1 Novel heteroaryl-diazabicyclo alkanes as cns-modulators CHRNA3, CHRNA5, CHRNA2 FUCA1 892/4885SIGMAR1 92/4885CHRM2 15/4885
US-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D FUCA1 3693/4885SIGMAR1 211/4885CHRM2 164/4885
US-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias DRD2, ADRA1D, KCND2 FUCA1 4764/4885SIGMAR1 222/4885CHRM2 26/4885

“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.