SCHEMBL425806

SCHEMBL425806

CC(C)(C)OC(=O)N1CCN(c2cccc3nc(C(=O)O)ccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.51
GBA1 P04062 2/20 0.50
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
ACHE P22303 2/20 0.44
MAP4K4 O95819 1/20 0.44
KIT P10721 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
PTPN11 Q06124 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NCF1 P14598 1/20 0.43

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
SCHEMBL430853 0.89 BACE1 (0.55) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL431870 0.89 BACE1 (0.48) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL430227 0.87 CYP2C9 (0.52) GBA1CKS1BSKP1SKP2GPR119
SCHEMBL5379011 0.85 GBA1 (0.49) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL431774 0.84 GBA1 (0.48) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL428233 0.84 GBA1 (0.48) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL429714 0.84 GBA1 (0.48) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL428076 0.83 GBA1 (0.48) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL429725 0.83 GBA1 (0.48) BACE1GBA1CKS1BSKP1SKP2
SCHEMBL430252 0.83 GBA1 (0.48) BACE1GBA1CKS1BSKP1SKP2

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.