SCHEMBL430467

SCHEMBL430467

C=CCc1cccc2c1OCC(=O)N2C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.40
HTR1D P28221 7/20 0.40
HTR1B P28222 7/20 0.40
SLC6A4 P31645 7/20 0.40
KCNH2 Q12809 7/20 0.40
KDM4E B2RXH2 5/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ALOX12 P18054 1/20 0.36
HTT P42858 2/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 3/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL430198 0.91 HTR1A (0.38) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428314 0.90 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428913 0.81 HTR1A (0.39) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5261908 0.78 TSHR (0.45) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428855 0.77 ALOX12 (0.39) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL20703651 0.72 ALOX12 (0.51) KDM4EKMT2AGAACASP1CASP7
SCHEMBL430548 0.70 THRB (0.38) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428438 0.69 HTR1A (0.84) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL427787 0.67 HTR1A (0.46) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428166 0.67 TP53 (0.44) 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 1 patent. 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

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.