SCHEMBL20002692

SCHEMBL20002692

CC(C)(C)OC(=O)N1C[C@@H](c2cc(F)cc(F)c2)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR7 P34969 1/20 0.36
RIPK1 Q13546 1/20 0.36
DPP4 P27487 1/20 0.35
TACR1 P25103 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 1/20 0.34
RORC P51449 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL21527897 1.00 MEN1 (0.49) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL19995889 1.00 MEN1 (0.49) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL8221143 0.88 MEN1 (0.48) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL22066474 0.87 MEN1 (0.45) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL20002192 0.82 RIPK1 (0.41) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL3741353 0.81 MEN1 (0.74) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL12497537 0.80 MEN1 (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL28196950 0.80 MEN1 (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL19995962 0.80 ALDH1A1 (0.48) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL28297775 0.80 ALDH1A1 (0.48) MEN1KMT2APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 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 (5 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 MEN1 2536/4885KMT2A 2842/4885PDE4A 453/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 MEN1 2929/4885KMT2A 2718/4885PDE4A 462/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 MEN1 2878/4885KMT2A 2737/4885PDE4A 469/4885
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, SLC6A3 MEN1 3039/4885KMT2A 1706/4885PDE4A 453/4885
US-11034695-B2 Dopamine-β-hydroxylase inhibitors DBH, SLC6A3, COMT MEN1 2896/4885KMT2A 1745/4885PDE4A 413/4885

“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.