SCHEMBL21753390

SCHEMBL21753390

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(Cc1ccc(C#N)cc1)c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC8 Q9BY41 2/20 0.48
OPRL1 P41146 6/20 0.47
OPRK1 P41145 2/20 0.47
OPRD1 P41143 1/20 0.47
CYP3A4 P08684 4/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 3/20 0.46
USP2 O75604 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRM1 P35372 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2D6 P10635 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL3771547 0.89 OPRK1 (0.54) HDAC1HDAC6HDAC8OPRL1OPRK1
SCHEMBL3738796 0.89 OPRK1 (0.54) HDAC1HDAC6HDAC8OPRL1OPRK1
SCHEMBL13479986 0.87 OPRL1 (0.60) HDAC1HDAC6HDAC8OPRL1OPRK1
SCHEMBL10253956 0.85 OPRL1 (0.48) HDAC1HDAC6HDAC8OPRL1OPRK1
SCHEMBL2112230 0.85 USP2 (0.45) OPRL1OPRK1OPRD1CYP3A4CYP2C19
SCHEMBL21765216 0.84 EGLN1 (0.47) HDAC1HDAC6HDAC8OPRK1OPRD1
SCHEMBL3742698 0.83 HDAC1 (0.44) HDAC1HDAC6HDAC8OPRL1OPRK1
SCHEMBL13480119 0.80 OPRL1 (0.54) HDAC1HDAC6HDAC8OPRL1OPRK1
SCHEMBL30543496 0.80 ALDH1A1 (0.50) OPRK1OPRD1CYP3A4CYP2C19ALDH1A1
SCHEMBL12362422 0.79 OPRL1 (0.45) HDAC1HDAC6HDAC8OPRL1OPRK1

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-11731972-B2 Spiro compounds as glycosidase inhibitors ASCENEURON SA (CH) 2023-08-22 US disclosed
US-11731972-B2 Spiro compounds as glycosidase inhibitors ASCENEURON SA (CH) 2023-08-22 US disclosed
US-11731972-B2 Spiro compounds as glycosidase inhibitors ASCENEURON SA (CH) 2023-08-22 US disclosed
US-20210206766-A1 SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-08 US disclosed
WO-2020039029-A1 SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
WO-2020039029-A1 SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 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-20210206766-A1 SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS GLA, BACE1, GAA HDAC1 241/4885HDAC6 127/4885HDAC8 467/4885
US-11731972-B2 Spiro compounds as glycosidase inhibitors GLA, BACE1, GAA HDAC1 241/4885HDAC6 127/4885HDAC8 467/4885

“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.