SCHEMBL25635552

SCHEMBL25635552

N#Cc1ccc(C23CCC(=O)CC2C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.39
TRPC6 Q9Y210 2/20 0.37
HSD11B1 P28845 1/20 0.36
PGR P06401 6/20 0.35
CYP19A1 P11511 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
HCRTR2 O43614 1/20 0.32
SLC6A9 P48067 1/20 0.32
MGLL Q99685 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4674917 0.83 HSD11B1 (0.41) KDM1AHSD11B1DDB1CRBN
Ethylene SCHEMBL4679206 0.81 MCHR1 (0.39) KDM1AHSD11B1DDB1CRBN
SCHEMBL14336703 0.79 MEN1 (0.48) KDM1AHSD11B1
SCHEMBL13804654 0.75 KDM1A (0.41) KDM1AHSD11B1PGRCYP19A1DDB1
SCHEMBL14337225 0.73 SLC6A2 (0.38) KDM1A
SCHEMBL378453 0.70 SLC6A2 (0.63)
SCHEMBL25635548 0.70 CYP3A4 (0.32) KDM1A
SCHEMBL744125 0.69 OPRM1 (0.49) HSD11B1CYP19A1DDB1CRBNPOLB
SCHEMBL25635554 0.69 PGR (0.35) KDM1APGRCYP19A1HCRTR2
SCHEMBL25635537 0.69 KDM1A (0.44) KDM1AHSD11B1SLC6A9

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 5 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
CN-116249697-A Bicycloheptane pyrrolidine orexin receptor agonists 默沙东有限责任公司 2023-06-09 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 (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 KDM1A 1847/4885TRPC6 580/4885HSD11B1 416/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 KDM1A 1951/4885TRPC6 499/4885HSD11B1 587/4885

“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.