SCHEMBL14849653

SCHEMBL14849653

CC(C)(C)OC(=O)N1CCC(O)(c2oc(-c3ccc(F)cc3)nc2-c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 2/20 0.46
EGFR P00533 1/20 0.46
MAPK9 P45984 1/20 0.46
GPR119 Q8TDV5 5/20 0.43
MAPK14 Q16539 2/20 0.43
GRIA1 P42261 1/20 0.42
HDAC2 Q92769 2/20 0.41
HDAC1 Q13547 1/20 0.41
MAPK13 O15264 1/20 0.40
GCGR P47871 1/20 0.40
MAPK12 P53778 1/20 0.40
SYK P43405 1/20 0.39
NAMPT P43490 1/20 0.38

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
SCHEMBL14841143 0.85 MAPK11 (0.49) MAPK11EGFRMAPK9MAPK14MAPK13
SCHEMBL4027443 0.76 BRAF (0.49) MAPK11MAPK14GRIA1HDAC2HDAC1
SCHEMBL14840744 0.76 MAPK14 (0.47) MAPK11EGFRMAPK9MAPK14MAPK13
SCHEMBL16512720 0.73 GPR119 (0.42) GPR119HDAC2HDAC1NAMPT
SCHEMBL25458288 0.73 GPR119 (0.50) GPR119NAMPT
SCHEMBL3266179 0.73 RORC (0.51) HDAC2HDAC1
SCHEMBL4024940 0.71 MAPK14 (0.45) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL4584849 0.71 CSNK1A1 (0.60) MAPK11MAPK9GPR119MAPK14MAPK13
SCHEMBL4025352 0.71 CSNK1A1 (0.60) MAPK11MAPK9GPR119MAPK14MAPK13
SCHEMBL1239091 0.69 RORC (0.48) HDAC2HDAC1

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-9006268-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-14 US disclosed
US-9006268-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-14 US disclosed
US-20130090324-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME LLC 2013-04-11 US disclosed
US-20130090324-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME LLC 2013-04-11 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-20130090324-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP MAPK11 3172/4885EGFR 4249/4885MAPK9 2701/4885

“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.