SCHEMBL430236

SCHEMBL430236

CCOC(=O)c1nnn2c1ccc1c(CC=O)cccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
ELANE P08246 7/20 0.40
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 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
SCHEMBL427849 0.90 KDM4E (0.54) RXFP1KDM4EMAPTMAPK1PKM
SCHEMBL429347 0.89 KDM4E (0.37) RXFP1KDM4EMAPTMAPK1PKM
SCHEMBL425927 0.80 ELANE (0.40) RXFP1KDM4EELANEF2PLAU
SCHEMBL427098 0.80 GABRA5 (0.45) MAPTELANEF2PLAUMEN1
SCHEMBL428070 0.79 KDM4E (0.41) RXFP1KDM4EMAPTPKMNPSR1
SCHEMBL22438753 0.74 RXFP1 (0.53) RXFP1KDM4EMAPTMAPK1PKM
SCHEMBL430617 0.71 HTR1A (0.61)
Hydrochloric Acid SCHEMBL427845 0.71 HTR1A (0.61)
SCHEMBL430191 0.70 GABRA1 (0.44) KDM4EMAPK1ELANEF2PLAU
SCHEMBL426941 0.70 KDM4E (0.43) RXFP1KDM4EMAPK1ELANEF2

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 RXFP1 657/4885KDM4E 3168/4885MAPT 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.