SCHEMBL428855

SCHEMBL428855

C=CCc1cccc2c1OCC(=O)N2CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CBX7 O95931 2/20 0.38
CDYL2 Q8N8U2 2/20 0.38
CDYL Q9Y232 2/20 0.38
CDY1; CDY1B Q9Y6F8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5261908 0.89 TSHR (0.45) ALOX12KMT2AMEN1CBX7CDYL2
SCHEMBL430198 0.79 HTR1A (0.38) ALOX12KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL5260069 0.78 TSHR (0.46) ALOX12KMT2AMEN1CBX7CDYL2
SCHEMBL430467 0.77 HTR1A (0.40) ALOX12KMT2AMEN1ALDH1A1HTT
SCHEMBL4432608 0.72 KMT2A (0.67) ALOX12KMT2AMEN1CBX7CDYL2
SCHEMBL430548 0.71 THRB (0.38) KMT2AMEN1CYP2C9CYP2C19HTR1A
SCHEMBL428166 0.71 TP53 (0.44) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL428349 0.69 HTR1A (0.48) KMT2AMEN1ALDH1A1CYP2C9LMNA
SCHEMBL429434 0.69 HTR1A (0.32) KMT2AMEN1ALDH1A1LMNAHTR1A
SCHEMBL426904 0.68 HTR1A (0.50) KMT2AMEN1ALDH1A1CYP2C9CYP2C19

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
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 ALOX12 4300/4885KMT2A 894/4885MEN1 4304/4885

“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.