SCHEMBL1805919

SCHEMBL1805919

CCOC(=O)c1cn(-c2ncccc2C2CC2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.47
OPRK1 P41145 1/20 0.45
DCTPP1 Q9H773 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD11B1 P28845 1/20 0.40
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 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
SCHEMBL1806834 0.82 ELANE (0.44) ELANEOPRK1DCTPP1NPC1RAB9A
SCHEMBL1806316 0.81 NPC1 (0.44) ELANEOPRK1DCTPP1NPC1RAB9A
SCHEMBL1806594 0.81 DCTPP1 (0.45) ELANEOPRK1DCTPP1NPC1RAB9A
SCHEMBL1806228 0.81 ELANE (0.44) ELANEOPRK1DCTPP1NPC1RAB9A
SCHEMBL1805340 0.80 NPC1 (0.43) ELANEOPRK1DCTPP1NPC1RAB9A
SCHEMBL1806069 0.79 NPC1 (0.42) ELANEOPRK1DCTPP1NPC1RAB9A
SCHEMBL1805932 0.78 NPC1 (0.41) ELANEOPRK1DCTPP1NPC1RAB9A
SCHEMBL26659396 0.77 NPSR1 (0.47) ELANEDCTPP1NPC1RAB9AMAPK1
SCHEMBL1808403 0.76 OPRL1 (0.39) NPC1RAB9AHTTKDM4EGAA
SCHEMBL1808293 0.75 NPC1 (0.39) ELANEOPRK1DCTPP1NPC1RAB9A

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-2501703-B1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2013-09-18 EP disclosed
EP-2501703-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
US-8232289-B2 Spiropiperidine compounds as ORL-1 receptor antagonists ELI LILLY AND COMPANY (US) 2012-07-31 US disclosed
WO-2011060035-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 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-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OXER1, OGFRL1, ORMDL3 ELANE 4548/4885OPRK1 44/4885DCTPP1 511/4885

“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.