SCHEMBL6740016

SCHEMBL6740016

CS(=O)(=O)OCC1COc2ccc(C#N)cc2O1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.51
CA2 P00918 2/20 0.42
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
HTR6 P50406 1/20 0.40
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
MTNR1A P48039 1/20 0.37

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
SCHEMBL15865281 0.82 FFAR1 (0.45) FFAR1CA2DRD2DRD3HTR6
SCHEMBL15865039 0.82 FFAR1 (0.45) FFAR1CA2DRD2DRD3HTR6
SCHEMBL15865043 0.82 FFAR1 (0.45) FFAR1CA2DRD2DRD3HTR6
SCHEMBL567448 0.82 CA2 (0.52) FFAR1CA2DRD2HTR6MTNR1A
SCHEMBL9375647 0.82 CA2 (0.58) FFAR1CA2DRD2DRD3CYP2C9
SCHEMBL24329410 0.81 FFAR1 (0.57) FFAR1CYP2C9CYP2B6SLCO1B3MTNR1A
SCHEMBL2544576 0.80 CA2 (0.55) CA2MTNR1A
SCHEMBL7982000 0.80 CA2 (0.55) CA2MTNR1A
SCHEMBL1545420 0.80 CA2 (0.55) CA2MTNR1A
SCHEMBL5917859 0.80 FFAR1 (0.49) FFAR1CA2DRD2DRD3HTR6

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 4 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
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

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 FFAR1 2371/4885CA2 3221/4885DRD2 21/4885

“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.