SCHEMBL12422658

SCHEMBL12422658

c1cnc2[nH]cc(C34CCNC3C4)c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.44
AXL P30530 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
CNR2 P34972 1/20 0.40
LRRK2 Q5S007 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD4 P21917 5/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
MET P08581 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAP2K1 Q02750 1/20 0.36
PDPK1 O15530 1/20 0.36
TGFBR1 P36897 1/20 0.36
IKBKE Q14164 1/20 0.36

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
SCHEMBL25774687 0.74 HSD11B1 (0.45) HSD11B1AXLGPR84CNR2LRRK2
SCHEMBL12422659 0.73 HSD11B1 (0.57) HSD11B1AXLGPR84CNR2DRD4
Hydrochloric Acid SCHEMBL1816561 0.72 HSD11B1 (0.45) HSD11B1AXLGPR84CNR2LRRK2
SCHEMBL25427364 0.69 HSD11B1 (0.50) HSD11B1AXLGPR84CNR2DRD4
SCHEMBL30509707 0.69 HSD11B1 (0.50) HSD11B1AXLGPR84CNR2DRD4
SCHEMBL20671734 0.69 AXL (0.46) HSD11B1AXLGPR84CNR2LRRK2
SCHEMBL22090244 0.67 AXL (0.44) HSD11B1AXLGPR84LRRK2KMT2A
SCHEMBL2005553 0.67 AXL (0.41) HSD11B1AXLGPR84CNR2LRRK2
SCHEMBL25771573 0.67 AXL (0.41) HSD11B1AXLGPR84LRRK2KMT2A
SCHEMBL12509444 0.65 HSD11B1 (0.62) HSD11B1CNR2DRD4DRD2DRD3

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 6 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-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
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
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 1/4885AXL 4826/4885GPR84 1579/4885

“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.