SCHEMBL21753339

SCHEMBL21753339

Cc1cc(C=O)ccc1-c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.51
SLC2A1 P11166 1/20 0.51
CYP2A6 P11509 5/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2E1 P05181 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2B6 P20813 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 2/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
ERN1 O75460 3/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL26681226 0.80 CYP11B1 (0.41) CYP3A4ERN1CYP11B1CYP11B2PTGS2
SCHEMBL30687704 0.80 CYP11B1 (0.41) CYP3A4ERN1CYP11B1CYP11B2PTGS2
SCHEMBL11837965 0.80 ESR2 (0.53) CYP2A6CYP2B6PDE3BPDE3ANPC1
SCHEMBL3931286 0.79 TTK (0.49) TTKCYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL21753295 0.79 ALDH1A3 (0.42) TTKCYP2A6PDE3BPDE3AALOX5
SCHEMBL13393530 0.78 NPC1 (0.64) SLC2A1CYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL3933850 0.78 ERN1 (0.56) TTKCYP3A4CYP2D6ERN1CYP11B1
SCHEMBL2955705 0.77 ALDH1A1 (0.54) TTKCYP3A4ERN1CYP11B1CYP11B2
SCHEMBL29394740 0.77 CYP2A6 (0.61) SLC2A1CYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL1803160 0.77 ESR2 (0.65) SLC2A1CYP2A6CYP3A4CYP2E1CYP2C9

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-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
WO-2020039027-A1 PYRROLIDINE 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-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP TTK 2923/4885SLC2A1 1294/4885CYP2A6 2483/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP TTK 3160/4885SLC2A1 1495/4885CYP2A6 2425/4885

“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.