SCHEMBL20002146

SCHEMBL20002146

CC(C)(C)OC(=O)N1C[C@@]2(c3cc(Br)ccc3F)C[C@H]2C1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.39
RORC P51449 2/20 0.36
NR1H2 P55055 5/20 0.34
NR1H3 Q13133 4/20 0.34
CASP1 P29466 2/20 0.34
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
KDM1A O60341 1/20 0.32
APP P05067 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL20002175 1.00 USP30 (0.39) USP30RORCNR1H2NR1H3CASP1
SCHEMBL21527884 0.92 USP30 (0.39) USP30RORCNR1H2NR1H3CASP1
SCHEMBL20005754 0.92 USP30 (0.39) USP30RORCNR1H2NR1H3CASP1
SCHEMBL20002177 0.92 USP30 (0.39) USP30RORCNR1H2NR1H3CASP1
SCHEMBL21527882 0.92 USP30 (0.39) USP30RORCNR1H2NR1H3CASP1
SCHEMBL21527883 0.92 USP30 (0.39) USP30RORCNR1H2NR1H3CASP1
SCHEMBL21137019 0.90 APP (0.40) RORCNR1H2NR1H3CASP1KDM1A
SCHEMBL29483985 0.90 APP (0.40) RORCNR1H2NR1H3CASP1KDM1A
SCHEMBL19995975 0.90 APP (0.40) RORCNR1H2NR1H3CASP1KDM1A
SCHEMBL21527835 0.89 USP30 (0.38) USP30NR1H2NR1H3CASP1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 US disclosed
US-11434242-B2 Dopamine-b-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2022-09-06 US disclosed
CN-109715633-B Dopamine-beta-hydroxylase inhibitors 巴尔-波特拉及康邦亚股份有限公司 2022-03-04 CN disclosed
US-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2022-01-20 US disclosed
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-11034695-B2 Dopamine-β-hydroxylase inhibitors BIAL—Portela & Cᵃ, S.A. (PT) 2021-06-15 US disclosed
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2021-06-10 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
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2020-06-11 US disclosed
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2019-11-07 US disclosed
WO-2018056855-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 WO disclosed
WO-2018056854-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 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 (8 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-11434242-B2 Dopamine-b-hydroxylase inhibitors DBH, MAOB, COMT USP30 2054/4885RORC 2204/4885NR1H2 572/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 USP30 2475/4885RORC 2313/4885NR1H2 384/4885
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT USP30 2188/4885RORC 2650/4885NR1H2 798/4885
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
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT USP30 2054/4885RORC 2204/4885NR1H2 572/4885

“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.