Sugi Predict

Sugi Predict / Compounds / SCHEMBL20005724

SCHEMBL20005724

SCHEMBL20005724

CC(C)(C)OC(=O)N1C[C@@H](c2cc(F)cc(F)c2)CC1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.40
▸ TACR1 P25103 3/20 0.37
▸ HCRTR2 O43614 4/20 0.37
▸ HTRA1 Q92743 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ CHRM2 P08172 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
SCHEMBL19995546 1.00 DPP4 (0.40) DPP4TACR1HCRTR2HTRA1KDM4E
SCHEMBL20005725 1.00 DPP4 (0.40) DPP4TACR1HCRTR2HTRA1KDM4E
SCHEMBL20002190 1.00 DPP4 (0.40) DPP4TACR1HCRTR2HTRA1KDM4E
SCHEMBL21527903 1.00 DPP4 (0.40) DPP4TACR1HCRTR2HTRA1KDM4E
SCHEMBL23454767 0.83 CYP1A2 (0.38) DPP4TACR1HTRA1KDM4EMAPT
SCHEMBL21136402 0.83 CYP1A2 (0.38) DPP4TACR1HTRA1KDM4EMAPT
SCHEMBL21527811 0.83 CYP1A2 (0.38) DPP4TACR1HTRA1KDM4EMAPT
SCHEMBL19995528 0.83 CYP1A2 (0.38) DPP4TACR1HTRA1KDM4EMAPT
SCHEMBL20002178 0.83 CYP1A2 (0.38) DPP4TACR1HTRA1KDM4EMAPT
SCHEMBL21136410 0.82 TACR1 (0.41) DPP4TACR1NR1H2CYP1A2POLB

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-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-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-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2019-11-07 — — US 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 (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-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 DPP4 685/4885TACR1 208/4885HCRTR2 341/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 DPP4 820/4885TACR1 189/4885HCRTR2 358/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 DPP4 680/4885TACR1 205/4885HCRTR2 361/4885

“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.