Sugi Predict

Sugi Predict / Compounds / SCHEMBL20002192

SCHEMBL20002192

SCHEMBL20002192

CC(C)(C)OC(=O)N1C[C@@H](c2cc(F)cc(F)c2F)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HCAR2 Q8TDS4 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ USP30 Q70CQ3 2/20 0.33
▸ QPCT Q16769 1/20 0.33
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL22066320 0.89 RIPK1 (0.46) RIPK1MEN1KMT2AHCAR2PDE4A
SCHEMBL15549469 0.85 MEN1 (0.42) MEN1KMT2AKDM4EMAPTTHRB
SCHEMBL8221143 0.84 MEN1 (0.48) MEN1KMT2AKDM4EMAPTTHRB
SCHEMBL21527897 0.82 MEN1 (0.49) RIPK1MEN1KMT2AKDM4EMAPT
SCHEMBL20002692 0.82 MEN1 (0.49) RIPK1MEN1KMT2AKDM4EMAPT
SCHEMBL19995889 0.82 MEN1 (0.49) RIPK1MEN1KMT2AKDM4EMAPT
SCHEMBL21527909 0.82 HCAR2 (0.44) RIPK1MEN1KMT2AHCAR2PDE4A
SCHEMBL19995539 0.82 HCAR2 (0.44) RIPK1MEN1KMT2AHCAR2PDE4A
SCHEMBL23220404 0.80 RIPK1 (0.38) RIPK1HCAR2NR1H2NR1H3HCRTR2
SCHEMBL20002191 0.78 RIPK1 (0.44) RIPK1HCAR2KDM4ENR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2020-06-11 — — US disclosed
WO-2018056854-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 — — WO disclosed
WO-2018056855-A1 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-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 RIPK1 4832/4885MEN1 2878/4885KMT2A 2737/4885
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, SLC6A3 RIPK1 4582/4885MEN1 3039/4885KMT2A 1706/4885
US-11034695-B2 Dopamine-β-hydroxylase inhibitors DBH, SLC6A3, COMT RIPK1 4605/4885MEN1 2896/4885KMT2A 1745/4885

“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.