SCHEMBL20005952

SCHEMBL20005952

CC(C)(C)OC(=O)NC[C@@]1(c2cc(F)cc(F)c2)C[C@H]1CC#N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.37
CTSK P43235 11/20 0.37
CTSB P07858 3/20 0.33
HCRTR2 O43614 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
CTSL P07711 1/20 0.32
CPB2 Q96IY4 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
EPAS1 Q99814 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
SCHEMBL20005977 0.86 HCRTR2 (0.35) HCRTR2CPB2
SCHEMBL20005716 0.86 HCRTR2 (0.35) HCRTR2CPB2
SCHEMBL20005832 0.83 MAOA (0.36) HCRTR2
SCHEMBL21527869 0.83 HSD17B10 (0.32) HCRTR2
SCHEMBL20005951 0.76 ACACB (0.35)
SCHEMBL13720547 0.70 IDO1 (0.41) CTSSCTSKCPB2
SCHEMBL29891320 0.70 DPP8 (0.38) CTSSCTSKHCRTR2
SCHEMBL21135750 0.70 DPP8 (0.38) CTSSCTSKHCRTR2
SCHEMBL13698145 0.68 SLC6A3 (0.48)
SCHEMBL22917996 0.68 SLC6A3 (0.48)

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 3 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-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 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 (2 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 CTSS 714/4885CTSK 1334/4885CTSB 391/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 CTSS 735/4885CTSK 1362/4885CTSB 414/4885

“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.