SCHEMBL430252

SCHEMBL430252

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.48
ACHE P22303 2/20 0.47
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
TLR9 Q9NR96 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
BACE1 P56817 4/20 0.44
SLC2A1 P11166 1/20 0.43
MAP4K4 O95819 1/20 0.42
KIT P10721 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
GPR119 Q8TDV5 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
SCHEMBL431774 0.90 GBA1 (0.48) GBA1ACHECKS1BSKP1SKP2
SCHEMBL6521227 0.86 CKS1B (0.52) GBA1ACHECKS1BSKP1SKP2
SCHEMBL430227 0.84 CYP2C9 (0.52) GBA1CKS1BSKP1SKP2HTR1A
SCHEMBL429714 0.83 GBA1 (0.48) GBA1ACHECKS1BSKP1SKP2
SCHEMBL425806 0.83 BACE1 (0.51) GBA1ACHECKS1BSKP1SKP2
SCHEMBL428076 0.83 GBA1 (0.48) GBA1ACHECKS1BSKP1SKP2
SCHEMBL5379011 0.82 GBA1 (0.49) GBA1ACHECKS1BSKP1SKP2
SCHEMBL428233 0.81 GBA1 (0.48) GBA1ACHECKS1BSKP1SKP2
SCHEMBL429725 0.80 GBA1 (0.48) GBA1ACHECKS1BSKP1SKP2
SCHEMBL4176341 0.80 CKS1B (0.53) GBA1CKS1BSKP1SKP2HTR1A

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 GBA1 192/4885ACHE 720/4885CKS1B 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.