SCHEMBL430548

SCHEMBL430548

C=CCc1cccc2c1OCc1nn(C)c(=O)n1-2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
HTR1A P08908 10/20 0.34
HTR1D P28221 10/20 0.34
HTR1B P28222 10/20 0.34
SLC6A4 P31645 10/20 0.34
KCNH2 Q12809 10/20 0.34
BRD9 Q9H8M2 3/20 0.34
BRD7 Q9NPI1 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
NMT1 P30419 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL431052 0.89 THRB (0.39) THRBHTR1AHTR1DHTR1BSLC6A4
SCHEMBL428166 0.81 TP53 (0.44) THRBHTR1AHTR1DHTR1BSLC6A4
SCHEMBL429434 0.79 HTR1A (0.32) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL426904 0.78 HTR1A (0.50) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL29810722 0.77 THRB (0.40) THRBBRD9BRD7CYP1A2
SCHEMBL29810711 0.77 THRB (0.40) THRBBRD9BRD7ADRA2C
SCHEMBL429407 0.72 HTR1A (0.52) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL429305 0.72 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL425805 0.72 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428855 0.71 ALOX12 (0.39) 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.