SCHEMBL1809873

SCHEMBL1809873

CCOC(=O)c1cn(-c2c(F)cccc2C#N)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
HSD17B10 Q99714 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
MAP2K1 Q02750 1/20 0.39
STAT3 P40763 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 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
SCHEMBL15252008 0.85 NOTUM (0.44) ALDH1A1NPSR1SMN1; SMN2
SCHEMBL11972749 0.83 TSHR (0.43) KDM4EHSD17B10ALDH1A1LMNAPOLB
SCHEMBL1806507 0.82 NPSR1 (0.40) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL1805095 0.81 NPSR1 (0.39) KDM4EALDH1A1LMNAPOLBPKM
SCHEMBL1807100 0.80 L3MBTL1 (0.39) KDM4EL3MBTL1ALDH1A1LMNAPOLB
SCHEMBL11971975 0.79 GNRHR (0.41) LMNAPOLBPKMNPSR1
SCHEMBL1804786 0.79 LMNA (0.40) KDM4EHSD17B10GAAALDH1A1LMNA
SCHEMBL6761570 0.78 KDM4E (0.48) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL1805130 0.77 L3MBTL1 (0.39) KDM4EL3MBTL1ALDH1A1TDP1LMNA
SCHEMBL1806223 0.76 JMJD6 (0.41) KDM4EHSD17B10GAAALDH1A1LMNA

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 4 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
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 KDM4E 3039/4885HSD17B10 2188/4885L3MBTL1 3321/4885

“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.