SCHEMBL426969

SCHEMBL426969

CCOC(=O)c1nnn2c1CCc1c(CC=O)cccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
ALOX12 P18054 1/20 0.44
SLC5A1 P13866 7/20 0.42
SLC5A2 P31639 7/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
MITF O75030 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
SCHEMBL428067 0.91 TP53 (0.43) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL429586 0.82 TP53 (0.43) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL430078 0.81 GABRG2 (0.50)
SCHEMBL429757 0.75 TP53 (0.42) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL7446456 0.73 TP53 (0.52) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL430517 0.72 GABRG2 (0.49)
SCHEMBL430991 0.71 HTR1A (0.48) CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL428398 0.71 HTR1A (0.47) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16840831 0.70 TP53 (0.50) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL7454361 0.69 TP53 (0.52) TP53ALOX12SLC5A1SLC5A2KMT2A

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 TP53 2719/4885ALOX12 4300/4885SLC5A1 1962/4885

“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.