Sugi Predict

Sugi Predict / Compounds / SCHEMBL22065375

SCHEMBL22065375

SCHEMBL22065375

CC1[C@@H]2C[C@]2(c2cc(Br)ccc2F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.42
▸ RORC P51449 2/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ BACE1 P56817 4/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ APP P05067 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL20001960 0.89 USP30 (0.40) USP30RORCNR1H2NR1H3BACE1
SCHEMBL29483979 0.89 USP30 (0.40) USP30RORCNR1H2NR1H3BACE1
SCHEMBL23487023 0.89 APP (0.41) USP30RORCNR1H2NR1H3KDM1A
SCHEMBL20002146 0.88 USP30 (0.39) USP30RORCNR1H2NR1H3BACE1
SCHEMBL21527882 0.88 USP30 (0.39) USP30RORCNR1H2NR1H3BACE1
SCHEMBL20002177 0.88 USP30 (0.39) USP30RORCNR1H2NR1H3BACE1
SCHEMBL21527883 0.88 USP30 (0.39) USP30RORCNR1H2NR1H3BACE1
SCHEMBL21527884 0.88 USP30 (0.39) USP30RORCNR1H2NR1H3BACE1
SCHEMBL20005754 0.88 USP30 (0.39) USP30RORCNR1H2NR1H3BACE1
SCHEMBL20002175 0.88 USP30 (0.39) USP30RORCNR1H2NR1H3BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2022-01-20 — — US disclosed
US-11034695-B2 Dopamine-β-hydroxylase inhibitors BIAL—Portela & Cᵃ, S.A. (PT) 2021-06-15 — — US disclosed
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 — — US disclosed
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2020-06-11 — — 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 (4 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-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 USP30 2302/4885RORC 2110/4885NR1H2 355/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 USP30 2244/4885RORC 1999/4885NR1H2 343/4885
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, SLC6A3 USP30 2259/4885RORC 2375/4885NR1H2 580/4885
US-11034695-B2 Dopamine-β-hydroxylase inhibitors DBH, SLC6A3, COMT USP30 2035/4885RORC 2020/4885NR1H2 505/4885

“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.