SCHEMBL1260916

SCHEMBL1260916

C=CC[C@@H]1CCC[C@H]1OC(=O)N[C@H](C(=O)OC)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
METAP2 P50579 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
SCHEMBL731018 0.89 CNR2 (0.31) CNR2
SCHEMBL731017 0.89 CNR2 (0.31) CNR2
SCHEMBL20477494 0.89 CNR2 (0.31) CNR2
SCHEMBL16869844 0.88 CNR1 (0.32) CNR1CNR2METAP2
SCHEMBL3496585 0.87 CNR2 (0.31) CNR2
SCHEMBL1243501 0.87 CNR2 (0.31) CNR2
SCHEMBL751522 0.87 CNR2 (0.31) CNR2
SCHEMBL13091174 0.87 CNR2 (0.31) CNR2
SCHEMBL12917475 0.80 ALDH1A1 (0.36)
SCHEMBL21508857 0.78 CNR2 (0.32) CNR2

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-8461107-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 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-20110046161-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC CNR1 3750/4885CNR2 4458/4885METAP2 207/4885

“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.