SCHEMBL6317043

SCHEMBL6317043

CC(C)N1CC2CC(CN(C(=O)c3ccc(-n4ccnc4)cc3)C2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
BAZ2B Q9UIF8 1/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
CHRNB2 P17787 3/20 0.47
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNA4 P43681 3/20 0.47
HTT P42858 1/20 0.47
LSS P48449 1/20 0.47
ADH5 P11766 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KMT2A Q03164 1/20 0.42
CHRNA7 P36544 2/20 0.42
GPR119 Q8TDV5 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
Perchlorate SCHEMBL6368227 0.95 CYP3A4 (0.45) CYP3A4BAZ2BHTR2AHTR2CHTR2B
SCHEMBL17319234 0.81 GAA (0.65) CYP3A4BAZ2BHTR2AHTR2CHTR2B
SCHEMBL6324442 0.77 CHRNA7 (0.47) CYP3A4BAZ2BHTR2AHTR2CHTR2B
SCHEMBL6336383 0.76 CHRNA7 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL9257879 0.76 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL8711485 0.76 PAX8 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6319408 0.76 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4HTT
Hydrochloric Acid SCHEMBL9272008 0.75 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL9269412 0.73 CRHBP (0.43) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL9363641 0.73 HPGD (0.68) CYP3A4BAZ2BHTR2AHTR2CHTR2B

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887881-B1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2005-05-03 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
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1192156-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1192155-B1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-04-02 EP disclosed
US-6465481-B1 EXHIBIT ELECTROPHYSIOLOGICAL ACTIVITY; MAY BE MORE POTENT AND PRODUCE FEWER SIDE EFFECTS INCLUDING LOWER INCIDENCE OF PROARRHYTHMIAS SUCH AS TORSADES DE POINTES ASTRAZENECA AB (SE) 2002-10-15 US disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed
EP-1114154-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IMMUNE RELATED DISEASES Genentech, Inc. (US) 2001-07-11 EP disclosed
EP-1086063-A4 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE INC (US) 2001-03-28 EP disclosed
EP-1086063-A1 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
WO-1999064050-A9 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE INC (US) 2000-04-20 WO disclosed
WO-2000015797-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IMMUNE RELATED DISEASES GENENTECH, INC. (US) 2000-03-23 WO disclosed
WO-1999064050-A1 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
US-5468858-A Sudden death syndrome THE BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY PHYSICAL SCIENCES (US) 1995-11-21 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E CYP3A4 120/4885BAZ2B 2731/4885HTR2A 293/4885
US-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D CYP3A4 179/4885BAZ2B 2811/4885HTR2A 537/4885
US-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias DRD2, ADRA1D, KCND2 CYP3A4 274/4885BAZ2B 967/4885HTR2A 468/4885

“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.