SCHEMBL427787

SCHEMBL427787

C=CCc1cccc2c1OCc1c(C(=O)O)ncn1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.46
HTR1D P28221 16/20 0.46
HTR1B P28222 16/20 0.46
SLC6A4 P31645 16/20 0.46
KCNH2 Q12809 16/20 0.46
CYP3A4 P08684 3/20 0.45
ADRA1A P35348 1/20 0.45
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.40
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GRM5 P41594 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL426924 0.87 HTR1A (0.55) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL430212 0.86 HTR1A (0.57) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL426903 0.83 HTR1A (0.58) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL426910 0.78 HTR1A (0.56) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL426964 0.76 HTR1A (0.58) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL429162 0.74 HTR1A (0.59) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428349 0.72 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL429305 0.72 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL431039 0.70 HTR1A (0.61) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL430128 0.70 HTR1A (0.89) 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 3 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
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 HTR1A 7/4885HTR1D 11/4885HTR1B 25/4885

“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.