SCHEMBL427849

SCHEMBL427849

C=CCc1cccc2c1ccc1c(C(=O)OCC)nnn12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
RXFP1 Q9HBX9 4/20 0.49
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
ELANE P08246 6/20 0.40
LMNA P02545 1/20 0.40
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38

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
SCHEMBL430236 0.90 RXFP1 (0.50) KDM4ERXFP1MAPTMAPK1PKM
SCHEMBL428070 0.89 KDM4E (0.41) KDM4ERXFP1MAPTPKMNPSR1
SCHEMBL430191 0.80 GABRA1 (0.44) KDM4EMAPK1HSD17B10ELANELMNA
SCHEMBL426941 0.80 KDM4E (0.43) KDM4ERXFP1MAPK1HSD17B10ELANE
SCHEMBL429347 0.79 KDM4E (0.37) KDM4ERXFP1MAPTMAPK1PKM
SCHEMBL22438753 0.74 RXFP1 (0.53) KDM4ERXFP1MAPTMAPK1PKM
SCHEMBL430617 0.71 HTR1A (0.61)
SCHEMBL427098 0.70 GABRA5 (0.45) MAPTELANEF2PLAU
SCHEMBL425927 0.70 ELANE (0.40) KDM4ERXFP1ELANEF2PLAU
Hydrochloric Acid SCHEMBL427845 0.70 HTR1A (0.61)

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 KDM4E 3168/4885RXFP1 657/4885MAPT 1090/4885

“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.