SCHEMBL25635548

SCHEMBL25635548

O=C1CCC2(c3cc(F)cc(F)c3)CC2C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM1A O60341 2/20 0.32
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL25635537 0.84 KDM1A (0.44) CYP3A4KDM1A
SCHEMBL14337225 0.80 SLC6A2 (0.38) CYP3A4ALDH1A1KDM1ATHRBMAPK1
SCHEMBL14336703 0.76 MEN1 (0.48) CYP3A4ALDH1A1KDM1AMAPK1
SCHEMBL25635635 0.75 HCRTR2 (0.33)
SCHEMBL25635634 0.75 HCRTR2 (0.33)
SCHEMBL25635633 0.75 HCRTR2 (0.33)
SCHEMBL20005827 0.73 SLC6A2 (0.31) CYP3A4
SCHEMBL21527841 0.73 SLC6A2 (0.31) CYP3A4
SCHEMBL25635552 0.70 KDM1A (0.39) KDM1A
SCHEMBL4679336 0.69 MEN1 (0.35) CYP3A4ALDH1A1THRBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
EP-4200295-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-06-28 EP disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
WO-2022040070-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-02-24 WO disclosed
US-20220056017-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-02-24 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 (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-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 CYP3A4 1733/4885ALDH1A1 1238/4885KDM1A 1847/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 CYP3A4 2257/4885ALDH1A1 1885/4885KDM1A 1951/4885
US-20220056017-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 CYP3A4 2257/4885ALDH1A1 1885/4885KDM1A 1951/4885

“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.