SCHEMBL891688

SCHEMBL891688

CN(C)C=NC1=N[C@@]2(C(=O)N1C)c1cc(O)ccc1O[C@H]1CCCO[C@@]12C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 13/20 0.37
OPRM1 P35372 12/20 0.37
CTSD P07339 3/20 0.36
BACE1 P56817 3/20 0.36
OPRD1 P41143 11/20 0.34
GAA P10253 1/20 0.32

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
SCHEMBL891687 1.00 OPRK1 (0.37) OPRK1OPRM1CTSDBACE1OPRD1
SCHEMBL876643 0.84 BACE1 (0.34) CTSDBACE1
SCHEMBL876642 0.84 BACE1 (0.34) CTSDBACE1
SCHEMBL891684 0.83 BACE1 (0.49) OPRK1OPRM1CTSDBACE1OPRD1
SCHEMBL891892 0.71 BACE1 (0.51) CTSDBACE1
SCHEMBL892065 0.69 BACE1 (0.70) CTSDBACE1
SCHEMBL10209616 0.69 BACE1 (0.70) CTSDBACE1
SCHEMBL10266489 0.67 BACE1 (0.57) CTSDBACE1
SCHEMBL10209617 0.67 BACE1 (0.72) CTSDBACE1
SCHEMBL892326 0.67 BACE1 (0.72) CTSDBACE1

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 OPRK1 2703/4885OPRM1 4028/4885CTSD 224/4885

“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.