SCHEMBL20002191

SCHEMBL20002191

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
NR1H2 P55055 6/20 0.40
NR1H3 Q13133 5/20 0.40
HCAR2 Q8TDS4 2/20 0.38
HCRTR2 O43614 3/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DPP4 P27487 1/20 0.35
USP30 Q70CQ3 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
HSD11B1 P28845 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
SCHEMBL20002704 0.84 DPP4 (0.41) RIPK1NR1H2NR1H3HCAR2HCRTR2
SCHEMBL20002702 0.84 DPP4 (0.41) RIPK1NR1H2NR1H3HCAR2HCRTR2
SCHEMBL23454767 0.82 CYP1A2 (0.38) RIPK1NR1H2NR1H3CYP1A2POLB
SCHEMBL19995528 0.82 CYP1A2 (0.38) RIPK1NR1H2NR1H3CYP1A2POLB
SCHEMBL21527811 0.82 CYP1A2 (0.38) RIPK1NR1H2NR1H3CYP1A2POLB
SCHEMBL20002178 0.82 CYP1A2 (0.38) RIPK1NR1H2NR1H3CYP1A2POLB
SCHEMBL21136402 0.82 CYP1A2 (0.38) RIPK1NR1H2NR1H3CYP1A2POLB
SCHEMBL23220370 0.81 RIPK1 (0.36) RIPK1NR1H2NR1H3HCAR2HCRTR2
SCHEMBL19995586 0.80 HCAR2 (0.43) RIPK1HCAR2HCRTR2DPP4
SCHEMBL20002192 0.78 RIPK1 (0.41) RIPK1NR1H2NR1H3HCAR2HCRTR2

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 4832/4885NR1H2 343/4885NR1H3 316/4885
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, SLC6A3 RIPK1 4582/4885NR1H2 580/4885NR1H3 564/4885
US-11034695-B2 Dopamine-β-hydroxylase inhibitors DBH, SLC6A3, COMT RIPK1 4605/4885NR1H2 505/4885NR1H3 497/4885

“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.