SCHEMBL1807795

SCHEMBL1807795

COCc1nn(-c2ccccc2F)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
KLKB1 P03952 4/20 0.40
PDE10A Q9Y233 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
ALKBH1 Q13686 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ADORA1 P30542 1/20 0.37
AURKA O14965 1/20 0.37
MAP2K1 Q02750 1/20 0.37
PTK2 Q05397 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1804767 0.85 NOTUM (0.43) NOTUML3MBTL1ADORA3HSP90AA1PTGS1
SCHEMBL1806117 0.80 NOTUM (0.46) NOTUMKLKB1PDE10AADORA3ADORA1
SCHEMBL28797994 0.80 ADORA1 (0.39) NOTUMKLKB1PDE10ACA2CA5A
SCHEMBL1803916 0.79 NOTUM (0.52) NOTUML3MBTL1ALKBH1ADORA3HSP90AA1
SCHEMBL1806825 0.79 ALDH1A1 (0.39) NOTUMKLKB1PDE10ACA2CA5A
SCHEMBL408713 0.74 NOTUM (0.43) NOTUMADORA3HSP90AA1
SCHEMBL11972383 0.73 GRM1 (0.41) NOTUMADORA3ADORA1
SCHEMBL17786799 0.72 GAA (0.40) KLKB1ATML3MBTL1ALKBH1ALDH1A1
SCHEMBL717852 0.71 MAPT (0.64) ATML3MBTL1CA2CA9HSP90AA1
SCHEMBL11766518 0.71 RAB9A (0.51) NOTUMADORA3ADORA1SMN1; SMN2

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
CN-102666550-B Spiropiperidine compounds as ORL-1 receptor antagonists LILLY CO ELI 2015-07-15 CN disclosed
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
CN-102666550-A Spiropiperidine compounds as ORL-1 receptor antagonists LILLY CO ELI 2012-09-12 CN 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 NOTUM 586/4885KLKB1 2318/4885PDE10A 3183/4885

“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.