SCHEMBL25635569

SCHEMBL25635569

c1ccc(C23CCC4(CC2C3)OCCO4)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
OPRM1 P35372 8/20 0.32
PIK3CD O00329 3/20 0.32
PIK3CA P42336 3/20 0.32
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 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
SCHEMBL25635545 0.81
SCHEMBL25635576 0.79 CDK5 (0.31) CDK5DYRK1ACDK5R1
SCHEMBL14336875 0.76 POLB (0.34) CHRM2CHRM4CHRM1CHRM3SLC6A2
SCHEMBL28059114 0.73 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16386079 0.73 SLC6A2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL745498 0.72 OPRM1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29460900 0.72 GRIN1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30407409 0.72 OPRM1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17443870 0.72 GRIN1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17443892 0.70 OPRM1 (0.39) SLC6A2GRIN1GRIN2AGRIN2BOPRM1

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 CHRM2 559/4885CHRM4 507/4885CHRM5 461/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 CHRM2 637/4885CHRM4 411/4885CHRM5 446/4885

“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.