SCHEMBL1809013

SCHEMBL1809013

CCOC(=O)c1nn(-c2ccccc2F)cc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.54
ALDH1A1 P00352 7/20 0.49
NPC1 O15118 8/20 0.48
RAB9A P51151 5/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ELANE P08246 2/20 0.41
POLB P06746 1/20 0.40
PDE4A P27815 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL1804832 0.87 NPC1 (0.47) NPSR1ALDH1A1NPC1RAB9ALMNA
SCHEMBL21354421 0.85 NPC1 (0.47) NPSR1ALDH1A1NPC1RAB9ALMNA
SCHEMBL4716289 0.84 NPC1 (0.68) NPSR1ALDH1A1NPC1RAB9ALMNA
SCHEMBL1803977 0.83 NPC1 (0.44) NPSR1ALDH1A1NPC1RAB9ALMNA
SCHEMBL11991807 0.82 NPSR1 (0.40) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11768308 0.81 ALDH1A1 (0.57) NPSR1ALDH1A1NPC1RAB9ALMNA
SCHEMBL20477381 0.79 KMT2A (0.51) NPSR1ALDH1A1NPC1RAB9ALMNA
SCHEMBL20142902 0.78 NPC1 (0.70) NPSR1ALDH1A1NPC1RAB9ALMNA
SCHEMBL4715074 0.77 NPSR1 (0.50) NPSR1ALDH1A1NPC1RAB9ALMNA
SCHEMBL2185500 0.76 NPC1 (0.71) NPSR1ALDH1A1NPC1RAB9ALMNA

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-2501704-B1 Spiropiperidine compounds as oral-1 receptor antagagonisten LILLY CO ELI (US) 2013-09-18 EP disclosed
EP-2501704-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
US-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-23 US disclosed
US-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-23 US disclosed
WO-2011060217-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed
WO-2011060217-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 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-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OPRL1, ORMDL3, OGFRL1 NPSR1 108/4885ALDH1A1 509/4885NPC1 1447/4885

“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.