SCHEMBL20005947

SCHEMBL20005947

CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1C=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.50
HCRTR2 O43614 2/20 0.48
TACR1 P25103 5/20 0.43
RORC P51449 2/20 0.43
ABCB1 P08183 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL16004575 0.88 HTRA1 (0.49) HTRA1HCRTR2TACR1RORCABCB1
SCHEMBL28537130 0.85 TACR1 (0.44) TACR1RORCGPR119NR1H2NR1H3
SCHEMBL28537575 0.85 TACR1 (0.44) TACR1RORCGPR119NR1H2NR1H3
SCHEMBL27275008 0.84 HCRTR2 (0.47) HCRTR2MEN1KMT2AKDM4E
SCHEMBL9544087 0.83 HTRA1 (0.49) HTRA1HCRTR2TACR1RORCABCB1
SCHEMBL18853751 0.82 HTRA1 (0.53) HTRA1HCRTR2TACR1RORCABCB1
SCHEMBL4206100 0.82 HTRA1 (0.53) HTRA1HCRTR2TACR1RORCABCB1
SCHEMBL4196684 0.82 HTRA1 (0.53) HTRA1HCRTR2TACR1RORCABCB1
SCHEMBL15730122 0.82 HTRA1 (0.53) HTRA1HCRTR2TACR1RORCABCB1
SCHEMBL15730092 0.82 HTRA1 (0.53) HTRA1HCRTR2TACR1RORCABCB1

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-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2022-01-20 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-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 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 (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-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 HTRA1 598/4885HCRTR2 341/4885TACR1 208/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 HTRA1 689/4885HCRTR2 358/4885TACR1 189/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 HTRA1 660/4885HCRTR2 361/4885TACR1 205/4885

“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.