SCHEMBL20701232

SCHEMBL20701232

CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1Cc1ccc(F)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
DPP4 P27487 1/20 0.38
IDO1 P14902 2/20 0.37
USP30 Q70CQ3 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
UCHL1 P09936 1/20 0.36
OPRK1 P41145 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
PREP P48147 1/20 0.34
CCR3 P51677 1/20 0.34
FAAH O00519 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL20701229 1.00 KDM4E (0.43) KDM4EALDH1A1TSHRDPP4IDO1
SCHEMBL20701235 1.00 KDM4E (0.43) KDM4EALDH1A1TSHRDPP4IDO1
SCHEMBL8273946 0.84 GPR119 (0.48) DPP4NR1H2NR1H3GPR119CCR3
SCHEMBL13344519 0.84 GPR119 (0.48) DPP4NR1H2NR1H3GPR119CCR3
SCHEMBL20701193 0.84 USP30 (0.42) USP30NR1H2NR1H3UCHL1GPR119
SCHEMBL20701195 0.84 USP30 (0.42) USP30NR1H2NR1H3UCHL1GPR119
SCHEMBL20701192 0.84 USP30 (0.42) USP30NR1H2NR1H3UCHL1GPR119
SCHEMBL30075712 0.83 HCRTR2 (0.47) KDM4ENR1H2NR1H3
SCHEMBL13344516 0.83 ALDH1A1 (0.42) ALDH1A1TSHRUSP30OPRK1
SCHEMBL13369119 0.83 ALDH1A1 (0.42) ALDH1A1TSHRUSP30OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230063805-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-02 US disclosed
US-11440883-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-13 US disclosed
CN-111051295-B Heterocyclic compounds and their use 武田药品工业株式会社 2022-09-02 CN 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
CN-111051295-A Heterocyclic compounds and their use 武田药品工业株式会社 2020-04-21 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 KDM4E 706/4885ALDH1A1 1384/4885TSHR 379/4885
US-20200207734-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 KDM4E 706/4885ALDH1A1 1384/4885TSHR 379/4885
US-11440883-B2 Heterocyclic compound and use thereof HCRTR2, HCRTR1, CNR2 KDM4E 706/4885ALDH1A1 1384/4885TSHR 379/4885
US-20230063805-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 KDM4E 706/4885ALDH1A1 1384/4885TSHR 379/4885
US-10428023-B2 Heterocyclic compound and use thereof HCRTR2, HCRTR1, CNR2 KDM4E 706/4885ALDH1A1 1384/4885TSHR 379/4885
US-10584097-B2 Heterocyclic compound and use thereof HCRTR2, HCRTR1, CNR2 KDM4E 706/4885ALDH1A1 1384/4885TSHR 379/4885
US-20200017444-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 KDM4E 706/4885ALDH1A1 1384/4885TSHR 379/4885
US-20200207715-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 KDM4E 706/4885ALDH1A1 1384/4885TSHR 379/4885

“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.