SCHEMBL20005800

SCHEMBL20005800

CC(C)(C)OC(=O)N1CC(c2cc(F)cc(F)c2)CC1CO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.41
SRC P12931 8/20 0.40
NR1H2 P55055 1/20 0.40
DPP4 P27487 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL21052736 1.00 TACR1 (0.41) TACR1SRCNR1H2DPP4MEN1
SCHEMBL20005803 1.00 TACR1 (0.41) TACR1SRCNR1H2DPP4MEN1
SCHEMBL19995973 1.00 TACR1 (0.41) TACR1SRCNR1H2DPP4MEN1
SCHEMBL21136410 1.00 TACR1 (0.41) TACR1SRCNR1H2DPP4MEN1
SCHEMBL29035191 0.88 TACR1 (0.50) TACR1SRCNR1H2
SCHEMBL29523555 0.88 TACR1 (0.50) TACR1SRCNR1H2
SCHEMBL29035189 0.88 TACR1 (0.50) TACR1SRCNR1H2
SCHEMBL29035386 0.88 TACR1 (0.50) TACR1SRCNR1H2
SCHEMBL29523008 0.88 TACR1 (0.50) TACR1SRCNR1H2
SCHEMBL23454767 0.83 CYP1A2 (0.38) TACR1NR1H2DPP4CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 US disclosed
US-11434242-B2 Dopamine-b-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2022-09-06 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-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2021-06-10 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 (6 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 TACR1 208/4885SRC 4427/4885NR1H2 355/4885
US-11434242-B2 Dopamine-b-hydroxylase inhibitors DBH, MAOB, COMT TACR1 194/4885SRC 4331/4885NR1H2 572/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 TACR1 189/4885SRC 4525/4885NR1H2 384/4885
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT TACR1 130/4885SRC 4275/4885NR1H2 798/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 TACR1 205/4885SRC 4399/4885NR1H2 343/4885
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT TACR1 194/4885SRC 4331/4885NR1H2 572/4885

“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.