Sugi Predict

Sugi Predict / Compounds / SCHEMBL21137019

SCHEMBL21137019

SCHEMBL21137019

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL19995975 1.00 APP (0.40) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL29483985 1.00 APP (0.40) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL29527649 0.91 USP30 (0.38) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL21527835 0.91 USP30 (0.38) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL23487020 0.90 PSEN1 (0.42) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL20002146 0.90 USP30 (0.39) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL20002175 0.90 USP30 (0.39) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL23454760 0.90 PSEN1 (0.42) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL23487023 0.87 APP (0.41) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL21136665 0.87 PSEN1 (0.41) APPHTR1AADRA2ADRD2ADRA2B

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 7 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-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 — — US disclosed
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
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2021-06-10 — — US disclosed
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2021-06-10 — — US disclosed
WO-2019112457-A1 DOPAMINE-Β-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-06-13 — — 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-11434242-B2 Dopamine-b-hydroxylase inhibitors DBH, MAOB, COMT APP 962/4885HTR1A 103/4885ADRA2A 84/4885
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT APP 1089/4885HTR1A 90/4885ADRA2A 129/4885
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT APP 962/4885HTR1A 103/4885ADRA2A 84/4885

“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.