SCHEMBL430853

SCHEMBL430853

CNC(=O)c1ccc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.55
GBA1 P04062 2/20 0.47
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
PTPN11 Q06124 1/20 0.45
ACHE P22303 2/20 0.44
KIT P10721 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
MAP4K4 O95819 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
SMARCA2 P51531 1/20 0.41

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
SCHEMBL425806 0.89 BACE1 (0.51) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL431870 0.85 BACE1 (0.48) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL430227 0.83 CYP2C9 (0.52) GBA1CKS1BSKP1SKP2MEN1
SCHEMBL5379011 0.81 GBA1 (0.49) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL22912731 0.81 BACE1 (0.52) BACE1CKS1BSKP1SKP2PTPN11
SCHEMBL30212537 0.81 BACE1 (0.52) BACE1CKS1BSKP1SKP2PTPN11
SCHEMBL431774 0.81 GBA1 (0.48) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL428233 0.81 GBA1 (0.48) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL429714 0.81 GBA1 (0.48) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL22912768 0.80 BACE1 (0.53) BACE1CKS1BSKP1SKP2PTPN11

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 BACE1 705/4885GBA1 192/4885CKS1B 1412/4885

“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.