SCHEMBL6740077

SCHEMBL6740077

N#Cc1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.72
MAPT P10636 3/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
HPGD P15428 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 2/20 0.55
HRH3 Q9Y5N1 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 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
SCHEMBL8484092 0.96 RAB9A (0.66) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL3922051 0.93 HPGD (0.70) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL8833294 0.92 RAB9A (0.61) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL6542913 0.88 RAB9A (0.56) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL950598 0.87 HPGD (0.59) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL7299163 0.84 RAB9A (1.00) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL8298007 0.83 RAB9A (0.79) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL21996953 0.82 RAB9A (0.56) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL34464168 0.82 RAB9A (0.56) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL11920128 0.82 RAB9A (0.63) RAB9AMAPTSMN1; SMN2HPGDNPSR1

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 8 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
CN-1144805-C Bispidine compounds useful in treatment of cardiac arrhythmias 2004-04-07 CN 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
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP disclosed
US-5356916-A Treating Parkinson*s disease WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP 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 RAB9A 60/4885MAPT 4305/4885SMN1; SMN2 4451/4885

“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.