SCHEMBL22993468

SCHEMBL22993468

CC(C)(C)OC(=O)N1CCc2ccc(Br)c(F)c2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.55
NR1H2 P55055 2/20 0.54
ABHD6 Q9BV23 4/20 0.47
MAPK1 P28482 1/20 0.43
MKNK1 Q9BUB5 3/20 0.42
ADORA1 P30542 1/20 0.40
HDAC1 Q13547 2/20 0.40
MAPT P10636 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
UCHL1 P09936 1/20 0.38

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
SCHEMBL29697653 1.00 ESR2 (0.55) ESR2NR1H2ABHD6MAPK1MKNK1
SCHEMBL29391872 1.00 ESR2 (0.55) ESR2NR1H2ABHD6MAPK1MKNK1
SCHEMBL29405503 0.90 ESR2 (0.55) ESR2NR1H2ABHD6MAPK1MKNK1
SCHEMBL19642882 0.90 ESR2 (0.55) ESR2NR1H2ABHD6MAPK1MKNK1
SCHEMBL31159106 0.88 HDAC1 (0.46) ESR2NR1H2ABHD6MAPK1MKNK1
SCHEMBL31335815 0.86 ESR2 (0.56) ESR2NR1H2ABHD6MAPK1MKNK1
SCHEMBL30156742 0.85 ESR2 (0.55) ESR2NR1H2ABHD6MAPK1MKNK1
SCHEMBL24913965 0.85 ESR2 (0.55) ESR2NR1H2ABHD6MAPK1MKNK1
SCHEMBL22993223 0.83 ESR2 (0.53) ESR2NR1H2ABHD6MAPK1MKNK1
SCHEMBL29405534 0.83 ESR2 (0.53) ESR2NR1H2ABHD6MAPK1MKNK1

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-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 US disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 US disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 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 (3 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 ESR2 2034/4885NR1H2 794/4885ABHD6 1132/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 ESR2 2034/4885NR1H2 794/4885ABHD6 1132/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 ESR2 2034/4885NR1H2 794/4885ABHD6 1132/4885

“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.