SCHEMBL12192563

SCHEMBL12192563

COC[C@@H]1[C@@H]2C[C@@H]2CN1C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.36
ANPEP P15144 2/20 0.36
ATM Q13315 1/20 0.33

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
SCHEMBL12192545 1.00 MMP2 (0.36) MMP2ANPEPATM
SCHEMBL12192557 0.84 ATM (0.35) MMP2ANPEPATM
SCHEMBL12192550 0.84 ATM (0.35) MMP2ANPEPATM
SCHEMBL12192551 0.79 ATM (0.34) MMP2ANPEPATM
SCHEMBL12192539 0.77 ATM (0.33) MMP2ANPEPATM
SCHEMBL12192533 0.77 ATM (0.33) MMP2ANPEPATM
SCHEMBL12192543 0.76 MMP2 (0.33) MMP2ANPEPATM
SCHEMBL24785773 0.72 GAA (0.31)
SCHEMBL25540051 0.72 GAA (0.31)
SCHEMBL26265836 0.72 GAA (0.31)

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-8030495-B2 Cyclopropyl pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. 2011-10-04 US disclosed
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-06-17 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 (1 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-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, OXTR MMP2 3423/4885ANPEP 560/4885ATM 4835/4885

“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.