SCHEMBL432800

SCHEMBL432800

O=Cc1cccc2c1OCc1nccn1-2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
ALDH1A1 P00352 1/20 0.31
RIPK1 Q13546 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
SCHEMBL428518 0.81 HTR1A (0.48) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL432928 0.72 GRM5 (0.43) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL30098340 0.66 ALDH1A1 (0.50) CYP2C9CYP2C19TRIM24TRIM33ALDH1A1
SCHEMBL18013298 0.66
SCHEMBL17078571 0.65 ALDH1A1 (0.53) CYP2C9CYP2C19TRIM24TRIM33ALDH1A1
SCHEMBL3630243 0.64 MEN1 (0.37) TRIM24TRIM33ALDH1A1
SCHEMBL4992978 0.63 MEN1 (0.44) CYP2C19TRIM24TRIM33ALDH1A1
SCHEMBL9068511 0.63 TP53 (0.35)
SCHEMBL13377663 0.62 KEAP1 (0.35) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL13377648 0.62 BLM (0.51) HTR1ACYP2C9HTR1DHTR1BSLC6A4

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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN 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 7/4885CYP2C9 1185/4885HTR1D 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.