SCHEMBL20701192

SCHEMBL20701192

CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1Cc1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
UCHL1 P09936 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM3 P20309 1/20 0.38
KLK7 P49862 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
STS P08842 1/20 0.36
GRM5 P41594 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
POLB P06746 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
SCHEMBL20701195 1.00 USP30 (0.42) USP30NR1H2NR1H3UCHL1CTSB
SCHEMBL20701193 1.00 USP30 (0.42) USP30NR1H2NR1H3UCHL1CTSB
SCHEMBL26563034 0.94 USP30 (0.47) USP30NR1H2NR1H3UCHL1MAPT
SCHEMBL29418103 0.94 USP30 (0.47) USP30NR1H2NR1H3UCHL1MAPT
SCHEMBL29330072 0.88 USP30 (0.43) USP30NR1H2NR1H3UCHL1CTSB
SCHEMBL8273912 0.87 GRM5 (0.46) USP30NR1H2NR1H3UCHL1MAPT
SCHEMBL13344514 0.87 GRM5 (0.46) USP30NR1H2NR1H3UCHL1MAPT
SCHEMBL8273946 0.87 GPR119 (0.48) NR1H2NR1H3CTSSCTSKMAPT
SCHEMBL13344519 0.87 GPR119 (0.48) NR1H2NR1H3CTSSCTSKMAPT
SCHEMBL13344505 0.86 NR1H2 (0.45) NR1H2NR1H3KLK7KMT2ASTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239744-A1 2-(3-ETHYNYLBENZYL)-SUBSTITUTED HETEROCYCLE DERIVATIVES AND RELATED USES OXFORD FINANCE LLC 2024-07-18 US disclosed
EP-3661923-B1 N-HETEROCYCLIC COMPOUNDS AS OREXIN 2 AGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2024-05-15 EP disclosed
EP-3816153-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2023-10-18 EP disclosed
US-11655241-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-23 US disclosed
US-20230063805-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-02 US disclosed
WO-2022207935-A1 2-(3-ETHYNYLBENZYL)-SUBSTITUTED HETEROCYCLE DERIVATIVES AS OREXIN-2 AGONISTS OREXIA THERAPEUTICS LIMITED (GB) 2022-10-06 WO disclosed
US-11440883-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-13 US disclosed
US-20210198240-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-01 US disclosed
EP-3816153-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2021-05-05 EP disclosed
US-20200207734-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-02 US disclosed
US-20200207715-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-02 US disclosed
EP-3661923-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2020-06-10 EP disclosed
US-10584097-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-03-10 US disclosed
US-20200017444-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-01-16 US disclosed
US-10428023-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-01 US disclosed
US-20190040010-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-07 US disclosed
WO-2019027058-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-07 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 (11 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-20190040010-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 USP30 4217/4885NR1H2 73/4885NR1H3 105/4885
US-11655241-B2 Heterocyclic compound and use thereof HCRTR2, HCRTR1, MCHR2 USP30 4365/4885NR1H2 84/4885NR1H3 113/4885
US-20200207734-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 USP30 4217/4885NR1H2 73/4885NR1H3 105/4885
US-11440883-B2 Heterocyclic compound and use thereof HCRTR2, HCRTR1, CNR2 USP30 4217/4885NR1H2 73/4885NR1H3 105/4885
US-20230063805-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 USP30 4217/4885NR1H2 73/4885NR1H3 105/4885
US-20240239744-A1 2-(3-ETHYNYLBENZYL)-SUBSTITUTED HETEROCYCLE DERIVATIVES AND RELATED USES HCRTR2, CRHR2, HCRTR1 USP30 3432/4885NR1H2 30/4885NR1H3 46/4885
US-20210198240-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, MCHR2 USP30 4365/4885NR1H2 84/4885NR1H3 113/4885
US-10428023-B2 Heterocyclic compound and use thereof HCRTR2, HCRTR1, CNR2 USP30 4217/4885NR1H2 73/4885NR1H3 105/4885
US-10584097-B2 Heterocyclic compound and use thereof HCRTR2, HCRTR1, CNR2 USP30 4217/4885NR1H2 73/4885NR1H3 105/4885
US-20200017444-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 USP30 4217/4885NR1H2 73/4885NR1H3 105/4885
US-20200207715-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 USP30 4217/4885NR1H2 73/4885NR1H3 105/4885

“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.