SCHEMBL1807100

SCHEMBL1807100

CCOC(=O)c1cn(-c2c(F)cccc2COC)nc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
GNRHR P30968 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
JMJD6 Q6NYC1 1/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL1806507 0.89 NPSR1 (0.40) L3MBTL1GNRHRNPSR1MAPK1LMNA
SCHEMBL1805130 0.87 L3MBTL1 (0.39) L3MBTL1GNRHRNPSR1MAPK1LMNA
SCHEMBL11971975 0.86 GNRHR (0.41) GNRHRNPSR1MAPK1LMNAPOLB
SCHEMBL11972749 0.83 TSHR (0.43) NPSR1MAPK1LMNAPOLBPKM
SCHEMBL1811067 0.81 GNRHR (0.38) L3MBTL1GNRHRNPSR1MAPK1LMNA
SCHEMBL1805095 0.81 NPSR1 (0.39) NPSR1MAPK1LMNAPOLBPKM
SCHEMBL1803399 0.81 ALDH1A1 (0.45) MAPK1LMNAPOLBMAPTTSHR
SCHEMBL1809873 0.80 KDM4E (0.43) L3MBTL1NPSR1LMNAPOLBPKM
SCHEMBL1804786 0.79 LMNA (0.40) GNRHRNPSR1MAPK1LMNAPOLB
SCHEMBL1808960 0.79 OPRL1 (0.42) NPSR1MAPK1TSHRNPC1RAB9A

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 L3MBTL1 3321/4885GNRHR 203/4885NPSR1 108/4885

“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.