SCHEMBL428454

SCHEMBL428454

CCOC(=O)c1ncn2c1COc1c(C(C)C(O)CO)cccc1-2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
SLC6A4 P31645 1/20 0.49
KCNH2 Q12809 1/20 0.49
GABRG2 P18507 11/20 0.46
GABRB3 P28472 11/20 0.46
GABRA5 P31644 11/20 0.46
GABRA2 P47869 3/20 0.46
GABRA1 P14867 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRB2 P47870 1/20 0.43
GABRA6 Q16445 1/20 0.41

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
SCHEMBL430171 0.85 HTR1A (0.51) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL430527 0.84 HTR1A (0.50) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL14321045 0.80 HTR1A (0.55) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL427036 0.78 HTR1A (0.62) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL426964 0.77 HTR1A (0.58) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL430212 0.76 HTR1A (0.57) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL2233633 0.76 GABRG2 (0.59) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL431039 0.76 HTR1A (0.61) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL10212296 0.74 HTR1A (0.74) HTR1ACYP2C9HTR1DHTR1BSLC6A4
SCHEMBL24632609 0.69 GABRG2 (0.49) 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 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 7/4885CYP2C9 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.