Sugi Predict

Sugi Predict / Compounds / SCHEMBL19995586

SCHEMBL19995586

SCHEMBL19995586

O=C(O)N1C[C@@H](c2cc(F)cc(F)c2F)CC1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 3/20 0.43
▸ RIPK1 Q13546 6/20 0.39
▸ CES2 O00748 2/20 0.35
▸ CES1 P23141 2/20 0.35
▸ HCRTR2 O43614 3/20 0.34
▸ DPP4 P27487 3/20 0.33
▸ FAP Q12884 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ KCNH2 Q12809 1/20 0.30
▸ QPCT Q16769 1/20 0.30

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
SCHEMBL19995929 0.81 DPP4 (0.47) HCAR2RIPK1DPP4FAPDPP8
SCHEMBL20002191 0.80 RIPK1 (0.44) HCAR2RIPK1HCRTR2DPP4
SCHEMBL19995620 0.78 RIPK1 (0.33) RIPK1CES2CES1HCRTR2
SCHEMBL19995539 0.72 HCAR2 (0.44) HCAR2RIPK1CES2CES1HCRTR2
SCHEMBL21527909 0.72 HCAR2 (0.44) HCAR2RIPK1CES2CES1HCRTR2
SCHEMBL23220370 0.70 RIPK1 (0.36) HCAR2RIPK1HCRTR2DPP4FAP
SCHEMBL4977443 0.69 NPY5R (0.35) RIPK1HCRTR2
SCHEMBL27162994 0.69 ERN1 (0.35) RIPK1
SCHEMBL20002704 0.67 DPP4 (0.41) HCAR2RIPK1HCRTR2DPP4FAP
SCHEMBL20002702 0.67 DPP4 (0.41) HCAR2RIPK1HCRTR2DPP4FAP

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-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
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2019-11-07 — — US disclosed
EP-3515433-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-07-31 — — EP 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 (4 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-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 HCAR2 474/4885RIPK1 4817/4885CES2 163/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 HCAR2 515/4885RIPK1 4832/4885CES2 162/4885
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, SLC6A3 HCAR2 495/4885RIPK1 4582/4885CES2 199/4885
US-11034695-B2 Dopamine-β-hydroxylase inhibitors DBH, SLC6A3, COMT HCAR2 553/4885RIPK1 4605/4885CES2 221/4885

“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.