SCHEMBL5631364

SCHEMBL5631364

N#Cc1ccc(C#CCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43

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
SCHEMBL9672085 0.89 HRH3 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7395296 0.88 GABRP (0.47) CA2CA12CA3CA6CA9
SCHEMBL7030337 0.85 TSHR (0.46) CA2GABRPGABRDGABRA1GABRB1
SCHEMBL10454979 0.82 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21623418 0.82 CYP2A6 (0.43) CA2CA12CA3CA6CA9
SCHEMBL21623467 0.82 CYP2A6 (0.43) CA2CA12CA3CA6CA9
SCHEMBL78831 0.82 CA2 (0.48) CA2CA12CA3CA6CA9
SCHEMBL24300824 0.80 ASIC3 (0.48) ENPP2GSK3B
SCHEMBL21623461 0.80 FFAR1 (0.42) CA2CA12CA3CA6CA9
SCHEMBL8441768 0.80 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217708-B2 Cardiovascular disorders ASTRAZENECA AB (SE) 2007-05-15 US disclosed
EP-1389212-B1 3,7-DIAZABICYCLO 3.3.1| FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2006-07-12 EP disclosed
EP-1389213-B1 3,7-DIAZABICYCLO 3.3.1| FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2006-04-12 EP disclosed
EP-1550663-A1 New crystalline forms of antiarrhythmic compounds Astra Zeneca AB (SE) 2005-07-06 EP disclosed
US-20050037067-A1 3,7-Diazabicyclo [3.3.1]formulations as anti-arrhythmic compounds ASTRAZENECA AB (SE) 2005-02-17 US disclosed
US-20040143000-A1 3,7-diazabicyclo [3.3.1] formulations as antiarhythmic compounds ASTRAZENECA AB (SE) 2004-07-22 US disclosed
US-20040132798-A1 3.7-Diazybicyclo [3.3.1] formulations as antiarrhythmic compounds ASTRAZENECA AB (SE) 2004-07-08 US disclosed
EP-1389211-A1 3,7-DIAZYBICYCLO 3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 EP disclosed
EP-1389213-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 EP disclosed
EP-1389212-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 EP disclosed
WO-2002083687-A1 3,7-DIAZYBICYCLO [3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083688-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083689-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 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 (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-20050037067-A1 3,7-Diazabicyclo [3.3.1]formulations as anti-arrhythmic compounds CACNA1G, CACNA1I, CACNA1B CA2 340/4885CA12 4142/4885CA3 318/4885
US-20040132798-A1 3.7-Diazybicyclo [3.3.1] formulations as antiarrhythmic compounds HCN3, CACNB3, TNNI3 CA2 424/4885CA12 3795/4885CA3 266/4885
US-20040143000-A1 3,7-diazabicyclo [3.3.1] formulations as antiarhythmic compounds SCN3A, KCNH1, CACNA1G CA2 592/4885CA12 3840/4885CA3 289/4885

“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.