SCHEMBL21776977

SCHEMBL21776977

CN1CC(C)(C)c2cc(-c3nnc(O)o3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 9/20 0.47
▸ SNCA P37840 2/20 0.36
▸ BACE1 P56817 9/20 0.35
▸ BACE2 Q9Y5Z0 9/20 0.35

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
SCHEMBL30412738 1.00 NOTUM (0.47) NOTUMSNCABACE1BACE2
SCHEMBL30412745 0.87 NOTUM (0.62) NOTUMSNCABACE1BACE2
SCHEMBL23451601 0.87 NOTUM (0.62) NOTUMSNCABACE1BACE2
SCHEMBL21776788 0.77 NOTUM (0.64) NOTUMBACE1BACE2
SCHEMBL21777025 0.76 NOTUM (0.58) NOTUMSNCABACE1
SCHEMBL30413359 0.76 NOTUM (0.58) NOTUMSNCABACE1
SCHEMBL23451539 0.76 NOTUM (0.65) NOTUMSNCA
SCHEMBL21792032 0.74 NOTUM (0.62) NOTUMSNCA
SCHEMBL21776892 0.73 NOTUM (0.61) NOTUMSNCA
SCHEMBL21776998 0.73 NOTUM (0.61) NOTUMSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 — — US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 — — EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 — — WO disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 — — 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 (2 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885SNCA 4155/4885BACE1 2172/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885SNCA 1217/4885BACE1 708/4885

“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.

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