SCHEMBL429282

SCHEMBL429282

CCOC(=O)c1ncn2c1ccc1c(CC=O)c(C)ccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 9/20 0.45
GABRG2 P18507 7/20 0.45
GABRB3 P28472 7/20 0.45
GABRA1 P14867 5/20 0.45
GABRA3 P34903 3/20 0.45
GABRA2 P47869 3/20 0.45
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
ELANE P08246 6/20 0.36
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
EED O75530 1/20 0.35
HCRTR1 O43613 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL426867 0.90 GABRA5 (0.45) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL427098 0.83 GABRA5 (0.45) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL430191 0.76 GABRA1 (0.44) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL26693931 0.70 GABRA1 (0.47) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL432231 0.70 GABRG2 (0.48) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL26694278 0.69 GABRA1 (0.45) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL26694046 0.68 GABRA5 (0.44) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL30781536 0.67 GABRA1 (0.46) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL9527096 0.67 EED (0.51) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL7293049 0.66 ALDH1A1 (0.50) GABRA5GABRG2GABRB3GABRA1GABRA3

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 61/4885GABRG2 133/4885GABRB3 35/4885

“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.