SCHEMBL22969367

SCHEMBL22969367

O=C1CCC(c2c(F)ccc(F)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.41
HCRTR2 O43614 6/20 0.34
EPHX2 P34913 3/20 0.33
RIPK1 Q13546 2/20 0.32
ABCB1 P08183 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
IDO1 P14902 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL28254585 0.82 ABCB1 (0.46) ESR2ABCB1CYP3A4CYP2D6IDO1
SCHEMBL20011092 0.78 ESR2 (0.40) ESR2EPHX2ALDH1A1MAPK1
SCHEMBL29659605 0.77 ABCB1 (0.44) HCRTR2EPHX2RIPK1ABCB1
SCHEMBL29487565 0.73 ESR2 (0.41) ESR2HCRTR2EPHX2RIPK1ABCB1
SCHEMBL22321349 0.73 ESR2 (0.41) ESR2HCRTR2EPHX2RIPK1ABCB1
SCHEMBL22321348 0.73 ESR2 (0.41) ESR2HCRTR2EPHX2RIPK1ABCB1
SCHEMBL2505519 0.73 HTR2C (0.40) ESR2HCRTR2ALDH1A1MAPK1
SCHEMBL29487575 0.73 HTR2C (0.40) ESR2HCRTR2ALDH1A1MAPK1
SCHEMBL31462642 0.72 ESR2 (0.35) ESR2
SCHEMBL31462595 0.72 ESR2 (0.35) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552767-B2 3-heteroaryl pyrrolidine and piperidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2026-02-17 US disclosed
US-12312332-B2 Heteroaryl pyrrolidine and piperidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2025-05-27 US disclosed
EP-4010314-B1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-02-28 EP disclosed
US-20240002359-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-01-04 US disclosed
EP-4255429-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-10-11 EP disclosed
US-20230018413-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2023-01-19 US disclosed
US-20230018413-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2023-01-19 US disclosed
WO-2022119888-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-09 WO disclosed
WO-2022119888-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-09 WO 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
CN-108884043-B Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2021-11-26 CN disclosed
WO-2021026047-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-02-11 WO disclosed
CN-108884043-A Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2018-11-23 CN 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 (4 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-12552767-B2 3-heteroaryl pyrrolidine and piperidine orexin receptor agonists HCRTR2, HCRTR1, NPY1R ESR2 589/4885HCRTR2 1/4885EPHX2 1770/4885
US-20240002359-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR ESR2 749/4885HCRTR2 1/4885EPHX2 1681/4885
US-12312332-B2 Heteroaryl pyrrolidine and piperidine orexin receptor agonists HCRTR2, HCRTR1, OXTR ESR2 609/4885HCRTR2 1/4885EPHX2 1210/4885
US-20230018413-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR ESR2 609/4885HCRTR2 1/4885EPHX2 1210/4885

“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.