SCHEMBL1806594

SCHEMBL1806594

CCOC(=O)c1cn(-c2ncccc2Br)nc1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ELANE P08246 4/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL1806316 0.85 NPC1 (0.44) DCTPP1ALDH1A1NPC1RAB9AMAPK1
SCHEMBL1806228 0.84 ELANE (0.44) DCTPP1ALDH1A1NPC1RAB9AMAPK1
SCHEMBL1805340 0.83 NPC1 (0.43) DCTPP1ALDH1A1NPC1RAB9AMAPK1
SCHEMBL1806069 0.82 NPC1 (0.42) DCTPP1NPC1RAB9AMAPK1NPSR1
SCHEMBL1805932 0.81 NPC1 (0.41) DCTPP1ALDH1A1NPC1RAB9AMAPK1
SCHEMBL1805919 0.81 ELANE (0.47) DCTPP1ALDH1A1NPC1RAB9AMAPK1
SCHEMBL26659396 0.80 NPSR1 (0.47) DCTPP1ALDH1A1NPC1RAB9AMAPK1
SCHEMBL1808293 0.79 NPC1 (0.39) DCTPP1ALDH1A1NPC1RAB9AMAPK1
SCHEMBL1806834 0.79 ELANE (0.44) DCTPP1ALDH1A1NPC1RAB9AMAPK1
SCHEMBL3835517 0.79 NPC1 (0.56) ALDH1A1NPC1RAB9AMAPK1NPSR1

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 DCTPP1 511/4885ALDH1A1 95/4885NPC1 1377/4885

“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.