SCHEMBL892335

SCHEMBL892335

CN(C)/C=N/C1=NC2(C(=O)N1C)c1cc(OS(=O)(=O)C(F)(F)F)ccc1C[C@H]1CCOC[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSD P07339 12/20 0.46
BACE1 P56817 12/20 0.46
DRD2 P14416 3/20 0.31
DRD3 P35462 3/20 0.31
HTR1D P28221 1/20 0.31
CHRM1 P11229 3/20 0.30
DRD4 P21917 2/20 0.30

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
SCHEMBL892336 1.00 CTSD (0.46) CTSDBACE1DRD2DRD3HTR1D
SCHEMBL10209459 0.87 BACE1 (0.49) CTSDBACE1DRD2DRD3HTR1D
SCHEMBL892159 0.83 CTSD (0.49) CTSDBACE1
SCHEMBL12490380 0.77 CTSD (0.47) CTSDBACE1
SCHEMBL12491009 0.73 BACE1 (0.47) BACE1DRD2DRD3CHRM1DRD4
SCHEMBL12491005 0.73 BACE1 (0.47) BACE1DRD2DRD3CHRM1DRD4
SCHEMBL12491004 0.73 BACE1 (0.47) BACE1DRD2DRD3CHRM1DRD4
SCHEMBL891952 0.71 BACE1 (0.64) CTSDBACE1
SCHEMBL882561 0.71 BACE1 (0.64) CTSDBACE1
SCHEMBL876643 0.71 BACE1 (0.34) CTSDBACE1DRD2DRD3CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US 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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 CTSD 224/4885BACE1 1/4885DRD2 4374/4885

“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.