SCHEMBL429434

SCHEMBL429434

C=CCc1cccc2c1OCc1n[nH]c(=O)n1-2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.32
HTR1D P28221 3/20 0.32
HTR1B P28222 3/20 0.32
SLC6A4 P31645 3/20 0.32
KCNH2 Q12809 3/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL428166 0.81 TP53 (0.44) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL430548 0.79 THRB (0.38) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL426904 0.76 HTR1A (0.50) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL425805 0.72 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL429305 0.72 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL10996257 0.71 THRB (0.49) HSP90AA1MEN1ALDH1A1LMNAKMT2A
SCHEMBL429407 0.70 HTR1A (0.52) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL430475 0.69 TP53 (0.45) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428855 0.69 ALOX12 (0.39) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5261908 0.68 TSHR (0.45) 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
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

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.