SCHEMBL1805973

SCHEMBL1805973

COCc1nn(-c2ncccc2F)cc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
HTT P42858 4/20 0.39
RAB9A P51151 3/20 0.39
ALOX12 P18054 2/20 0.39
NPC1 O15118 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC9 Q9UKV0 1/20 0.35
OPRL1 P41146 6/20 0.35
KLKB1 P03952 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1804220 0.87 OPRL1 (0.33) KDM4EHTTRAB9ANPC1HDAC9
SCHEMBL27882093 0.82 RXRA (0.37) KDM4EHTTRAB9AALOX12NPC1
SCHEMBL27865519 0.82 HDAC9 (0.34) KDM4EHTTRAB9AALOX12NPC1
SCHEMBL1806117 0.81 NOTUM (0.46) KDM4EHTTRAB9AKLKB1SMN1; SMN2
SCHEMBL1803607 0.79 HDAC9 (0.34) KDM4EHTTRAB9AALOX12NPC1
SCHEMBL1806926 0.78 L3MBTL1 (0.41) HTTRAB9ANPC1NPSR1HDAC9
SCHEMBL1806878 0.74 OPRL1 (0.47) KDM4EHTTRAB9AALOX12NPC1
SCHEMBL27852363 0.74 RAB9A (0.56) KDM4EHTTRAB9ANPC1NPSR1
SCHEMBL28796802 0.71 RXRA (0.35) HDAC9OPRL1SMN1; SMN2L3MBTL1TP53
SCHEMBL21616771 0.70 L3MBTL1 (0.50) KDM4EHTTRAB9AALOX12NPC1

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-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
CN-102612520-A Spiropiperidine compounds as orl-1 receptor antagonists LILLY CO ELI 2012-07-25 CN disclosed
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 US disclosed
WO-2011060035-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-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OXER1, OGFRL1, ORMDL3 KDM4E 4778/4885HTT 4768/4885RAB9A 3218/4885

“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.