SCHEMBL23922914

SCHEMBL23922914

Brc1cccnc1CO[C@H]1CC[C@@H](c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.38
TRPV6 Q9H1D0 2/20 0.36
IDO1 P14902 2/20 0.36
HCRTR2 O43614 4/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 3/20 0.34
SLC18A3 Q16572 2/20 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
SCHEMBL24497826 1.00 NR3C1 (0.38) NR3C1TRPV6IDO1HCRTR2KDM4E
SCHEMBL29487590 1.00 NR3C1 (0.38) NR3C1TRPV6IDO1HCRTR2KDM4E
SCHEMBL22969642 1.00 NR3C1 (0.38) NR3C1TRPV6IDO1HCRTR2KDM4E
SCHEMBL24497714 0.86 OPRM1 (0.42) KDM4EL3MBTL1
SCHEMBL24461039 0.85 MAOB (0.42) KDM4E
SCHEMBL24461026 0.85 MAOB (0.42) KDM4E
SCHEMBL23293093 0.85 HCRTR2 (0.40) HCRTR2
SCHEMBL29487560 0.85 HCRTR2 (0.40) HCRTR2
SCHEMBL23293095 0.85 HCRTR2 (0.40) HCRTR2
SCHEMBL28675350 0.85 HCRTR2 (0.35) IDO1HCRTR2KDM4EL3MBTL1

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-12091410-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-17 US disclosed
EP-4010314-B1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-02-28 EP disclosed
EP-3896060-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-08-16 EP disclosed
CN-114181136-A Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2022-03-15 CN disclosed
US-20220017514-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-20 US disclosed
CN-108884043-B Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2021-11-26 CN disclosed
EP-3896060-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-10-20 EP 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 (2 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-12091410-B2 Heterocyclic compound HCRTR2, HCRTR1, NTSR2 NR3C1 302/4885TRPV6 389/4885IDO1 1084/4885
US-20220017514-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NTSR2 NR3C1 302/4885TRPV6 389/4885IDO1 1084/4885

“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.