SCHEMBL6617465

SCHEMBL6617465

N#Cc1ccc(O)c(C(=O)NC2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
TMPRSS4 Q9NRS4 3/20 0.51
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
P2RX1 P51575 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44
EPHX1 P07099 1/20 0.43
PTGS2 P35354 2/20 0.43
IRAK4 Q9NWZ3 3/20 0.43
KDM1A O60341 1/20 0.43
ALOX5 P09917 1/20 0.43
DRD2 P14416 1/20 0.42

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
SCHEMBL21884407 0.83 NPC1 (0.51) NPC1RAB9ATMPRSS4HPGDKDM4E
SCHEMBL12670870 0.81 HPGD (0.51) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL31171325 0.78 NPC1 (0.56) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL4748888 0.76 ALDH1A1 (0.62) NPC1RAB9ATMPRSS4HPGDKDM4E
SCHEMBL7118324 0.76 NPC1 (0.51) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL21884390 0.76 TMPRSS4 (0.44) NPC1RAB9ATMPRSS4P2RX1IRAK4
SCHEMBL8656390 0.76 KDM4E (0.54) TMPRSS4HPGDKDM4EALDH1A1HTT
SCHEMBL14313571 0.76 RAB9A (0.84) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL12670871 0.75 NPC1 (0.56) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL31171361 0.75 KDM1A (0.55) NPC1RAB9AHPGDIRAK4KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2000077000-A9 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-06-19 WO disclosed
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed
CN-1284956-A Novel bispidine antiarrhythmic compounds ASTRA ZENECA AKTIEBOLAG (SE) 2001-02-21 CN disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed
EP-1047695-A1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2000-11-02 EP disclosed
WO-1999031100-A1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 1999-06-24 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D NPC1 2912/4885RAB9A 60/4885TMPRSS4 3615/4885

“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.