SCHEMBL25635628

SCHEMBL25635628

COC[C@H](CC(=O)O)NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
PLA2G2C Q5R387 7/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN9A Q15858 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CRAT P43155 1/20 0.38
ALOX15 P16050 2/20 0.36
PLA2G2A P14555 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL22083015 0.85 PLA2G2C (0.46) ACACBPLA2G2CCA12CA1CA2
SCHEMBL10936490 0.83 CRAT (0.45) PLA2G2CCRATALOX15KDM4EMAPT
SCHEMBL25635627 0.81 ACACB (0.42) ACACBPLA2G2CCA12CA1CA2
SCHEMBL15780011 0.79 PLA2G2C (0.43) ACACBPLA2G2CCA12CA1CA2
SCHEMBL18221484 0.79 PLA2G2C (0.43) ACACBPLA2G2CCA12CA1CA2
SCHEMBL13888611 0.79 TAS1R3 (0.47) ACACBPLA2G2CCA12CA1CA2
SCHEMBL17506705 0.79 TAS1R3 (0.47) ACACBPLA2G2CCA12CA1CA2
SCHEMBL7731906 0.77 CRAT (0.41) ACACBPLA2G2CCA12CA1CA2
SCHEMBL1144276 0.77 CRAT (0.41) ACACBPLA2G2CCA12CA1CA2
SCHEMBL1144295 0.77 CRAT (0.41) ACACBPLA2G2CCA12CA1CA2

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 2 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-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 ACACB 3645/4885PLA2G2C 2842/4885CA12 3535/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 ACACB 3431/4885PLA2G2C 3137/4885CA12 3585/4885

“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.