SCHEMBL428913

SCHEMBL428913

CC(=O)C(C)N1C(=O)COc2c(CC=O)cccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.39
HTR1D P28221 8/20 0.39
HTR1B P28222 8/20 0.39
SLC6A4 P31645 8/20 0.39
KCNH2 Q12809 8/20 0.39
HTT P42858 2/20 0.36
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
SLC1A2 P43004 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.30
POLB P06746 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL428314 0.91 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL430198 0.90 HTR1A (0.38) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL430467 0.81 HTR1A (0.40) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4169835 0.77 HTR1A (0.47) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5260069 0.75 TSHR (0.46) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL27707632 0.74 KMT2A (0.44) HTTALOX12TSHRPOLB
SCHEMBL429181 0.70 HTR1A (0.83) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL27688568 0.69 HTT (0.35) HTTALOX12CYP2D6CYP2C9POLB
SCHEMBL431052 0.69 THRB (0.39) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428855 0.68 ALOX12 (0.39) 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.