SCHEMBL431052

SCHEMBL431052

Cn1nc2n(c1=O)-c1cccc(CC=O)c1OC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
HTR1A P08908 11/20 0.35
HTR1D P28221 11/20 0.35
HTR1B P28222 11/20 0.35
SLC6A4 P31645 11/20 0.35
KCNH2 Q12809 11/20 0.35
BRD9 Q9H8M2 2/20 0.34
BRD7 Q9NPI1 1/20 0.34
CYP1A2 P05177 1/20 0.32
NMT1 P30419 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL430548 0.89 THRB (0.38) THRBHTR1AHTR1DHTR1BSLC6A4
SCHEMBL430475 0.80 TP53 (0.45) THRBHTR1AHTR1DHTR1BSLC6A4
SCHEMBL431604 0.79 HTR1A (0.50) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL29810722 0.78 THRB (0.40) THRBBRD9BRD7CYP1A2
SCHEMBL27238490 0.78 THRB (0.40) THRBBRD9BRD7CYP1A2
SCHEMBL27238518 0.78 THRB (0.40) THRBBRD9BRD7
SCHEMBL29810711 0.78 THRB (0.40) THRBBRD9BRD7
SCHEMBL4169835 0.77 HTR1A (0.47) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL429130 0.73 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL429648 0.73 HTR1A (0.52) HTR1AHTR1DHTR1BSLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE THRB 824/4885HTR1A 7/4885HTR1D 11/4885

“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.