SCHEMBL1808293

SCHEMBL1808293

C=COCc1cccnc1-n1cc(C(=O)OCC)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
DCTPP1 Q9H773 1/20 0.38
ELANE P08246 4/20 0.38
OPRK1 P41145 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALKBH1 Q13686 1/20 0.35
HSD11B1 P28845 1/20 0.35
BRD4 O60885 1/20 0.34
GLA P06280 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL1806069 0.89 NPC1 (0.42) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL1806228 0.85 ELANE (0.44) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL1806834 0.83 ELANE (0.44) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL1805932 0.82 NPC1 (0.41) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL1805340 0.79 NPC1 (0.43) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL1806594 0.79 DCTPP1 (0.45) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL1806316 0.79 NPC1 (0.44) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL1805919 0.75 ELANE (0.47) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL26659396 0.74 NPSR1 (0.47) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL3835517 0.73 NPC1 (0.56) NPC1RAB9ANPSR1MAPK1HTT

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 NPC1 1377/4885RAB9A 3218/4885NPSR1 186/4885

“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.