SCHEMBL1815353

SCHEMBL1815353

CC(C)(C)OC(=O)N1CC2CC2(c2c[nH]c3ncccc23)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.61
JAK1 P23458 3/20 0.45
MAP2K1 Q02750 1/20 0.39
POLB P06746 1/20 0.39
NAMPT P43490 1/20 0.38
DTYMK P23919 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CNR2 P34972 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
JAK3 P52333 1/20 0.37

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
SCHEMBL25427796 0.81 HSD11B1 (0.41) HSD11B1JAK1MAP2K1POLBNAMPT
SCHEMBL30509712 0.81 HSD11B1 (0.41) HSD11B1JAK1MAP2K1POLBNAMPT
SCHEMBL30509683 0.81 HSD11B1 (0.42) HSD11B1JAK1MAP2K1POLBNAMPT
SCHEMBL25428242 0.81 HSD11B1 (0.42) HSD11B1JAK1MAP2K1POLBNAMPT
SCHEMBL12509444 0.79 HSD11B1 (0.62) HSD11B1MAP2K1POLBNAMPTDTYMK
SCHEMBL25429671 0.77 HSD11B1 (0.42) HSD11B1MAP2K1POLBDTYMKJAK3
SCHEMBL30509700 0.77 HSD11B1 (0.42) HSD11B1MAP2K1POLBDTYMKJAK3
SCHEMBL30268860 0.76 GPR119 (0.48) POLBNAMPTGPR119
SCHEMBL25426035 0.76 CYP11B2 (0.39) HSD11B1MAP2K1POLBNAMPTDTYMK
SCHEMBL30509709 0.76 CYP11B2 (0.39) HSD11B1MAP2K1POLBNAMPTDTYMK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321317-B1 FUSED PYRROLIDINO-CYCLOPROPANE DERIVATIVES AS SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS MERCK PATENT GMBH (DE) 2014-12-24 EP disclosed
US-8486964-B2 Fused pyrrolidino-cyclopropane derivatives as selective 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH (DE) 2013-07-16 US disclosed
US-20110172265-A1 Fused pyrrolidino-cyclopropane derivatives as selective 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-14 US disclosed
EP-2321317-A1 FUSED PYRROLIDINO-CYCLOPROPANE DERIVATIVES AS SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Merck Patent GmbH (DE) 2011-05-18 EP disclosed
WO-2010022850-A1 FUSED PYRROLIDINO-CYCLOPROPANE DERIVATIVES AS SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS MERCK PATENT GMBH (DE) 2010-03-04 WO 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-20110172265-A1 Fused pyrrolidino-cyclopropane derivatives as selective 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885JAK1 3793/4885MAP2K1 1311/4885

“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.