SCHEMBL9931319

SCHEMBL9931319

NC1=NC2(CO1)c1cc(-c3cncc(Cl)c3)ccc1OC1COCCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
CYP2D6 P10635 3/20 1.00
CTSD P07339 4/20 0.86

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
SCHEMBL9933017 1.00 BACE1 (1.00) BACE1CYP2D6CTSD
SCHEMBL9882653 1.00 BACE1 (1.00) BACE1CYP2D6CTSD
SCHEMBL9932605 1.00 BACE1 (1.00) BACE1CYP2D6CTSD
SCHEMBL9882438 1.00 BACE1 (1.00) BACE1CYP2D6CTSD
SCHEMBL9932694 0.93 BACE1 (1.00) BACE1CYP2D6CTSD
SCHEMBL9932592 0.93 BACE1 (1.00) BACE1CYP2D6CTSD
SCHEMBL10279472 0.93 BACE1 (1.00) BACE1CYP2D6CTSD
SCHEMBL9931429 0.93 BACE1 (1.00) BACE1CYP2D6CTSD
SCHEMBL9931382 0.93 BACE1 (1.00) BACE1CYP2D6CTSD
SCHEMBL9931383 0.93 BACE1 (1.00) BACE1CYP2D6CTSD

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 BACE1 1/4885CYP2D6 4201/4885CTSD 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.