SCHEMBL25635554

SCHEMBL25635554

N#Cc1ccc(C23CCC4(CC2C3)OCCO4)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.35
KDM1A O60341 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CYP19A1 P11511 1/20 0.31
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HCRTR2 O43614 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
SCHEMBL14336875 0.80 POLB (0.34) SLC6A2SLC6A4SLC6A3MAPK1ALDH1A1
SCHEMBL14336880 0.74 SLC6A3 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL21427332 0.73 LPL (0.39) CA1CA2
SCHEMBL743942 0.72 OPRM1 (0.47) PGRSLC6A4SLC6A3CA1CA2
SCHEMBL25635549 0.71 CHRNA1 (0.31) SLC6A2SLC6A3
SCHEMBL25635538 0.70 KDM1A (0.43) KDM1ASLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL25635552 0.69 KDM1A (0.39) PGRKDM1ACYP19A1HCRTR2
SCHEMBL25635545 0.66
SCHEMBL17488162 0.66 MAOA (0.40) PGRCYP19A1
SCHEMBL378453 0.66 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CYP3A4

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 4 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-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

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-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 PGR 689/4885KDM1A 1847/4885SLC6A2 733/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 PGR 657/4885KDM1A 1951/4885SLC6A2 906/4885

“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.