SCHEMBL427098

SCHEMBL427098

CCOC(=O)c1ncn2c1ccc1c(CC=O)cccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.45
GABRA1 P14867 4/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
ELANE P08246 12/20 0.40
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EED O75530 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 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
SCHEMBL430191 0.90 GABRA1 (0.44) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL429282 0.83 GABRA5 (0.45) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL425927 0.80 ELANE (0.40) ELANEF2PLAUMEN1KMT2A
SCHEMBL430236 0.80 RXFP1 (0.50) ELANEF2PLAUMEN1KMT2A
SCHEMBL426867 0.76 GABRA5 (0.45) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL431142 0.71 HTR1A (0.67)
Hydrochloric Acid SCHEMBL428086 0.71 HTR1A (0.66)
SCHEMBL9527096 0.70 EED (0.51) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL427849 0.70 KDM4E (0.54) ELANEF2PLAUMAPT
SCHEMBL426941 0.70 KDM4E (0.43) ELANEF2PLAUMEN1KMT2A

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 5 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
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 GABRA5 61/4885GABRA1 19/4885GABRG2 133/4885

“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.