SCHEMBL1806153

SCHEMBL1806153

CC(C)(C)OC(=O)N1CCC2(CC1)OCC(=O)c1cc(Br)sc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.40
GPR119 Q8TDV5 2/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SCD5 Q86SK9 1/20 0.36
NAMPT P43490 1/20 0.35
ACACB O00763 2/20 0.35
PKM P14618 1/20 0.35
ALK Q9UM73 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL1805725 0.87 AVPR1A (0.40) AVPR1AUSP2SMN1; SMN2KDM4EMAPT
SCHEMBL26066372 0.80 USP2 (0.39) AVPR1AGPR119USP2SMN1; SMN2MAPT
SCHEMBL28602735 0.80 KDM4E (0.38) GPR119USP2SMN1; SMN2KDM4EMAPT
SCHEMBL20487416 0.80 KDM4E (0.38) GPR119USP2SMN1; SMN2KDM4EMAPT
SCHEMBL1808216 0.80 HDAC1 (0.39) AVPR1AGPR119USP2SMN1; SMN2HDAC1
SCHEMBL1812199 0.80 GPR119 (0.37) GPR119USP2SMN1; SMN2KDM4EMAPT
SCHEMBL23223330 0.77 GPR119 (0.37) AVPR1AGPR119USP2SMN1; SMN2HDAC1
SCHEMBL21710567 0.75 GPR119 (0.37) AVPR1AGPR119USP2SMN1; SMN2KDM4E
SCHEMBL20486729 0.75 GPR119 (0.37) GPR119USP2SMN1; SMN2MAPTHDAC1
SCHEMBL20502660 0.75 NR1H2 (0.37) AVPR1AGPR119USP2SMN1; SMN2HDAC1

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 9 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-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
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-8232289-B2 Spiropiperidine compounds as ORL-1 receptor antagonists ELI LILLY AND COMPANY (US) 2012-07-31 US disclosed
WO-2011060217-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed
WO-2011060035-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 US 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 (2 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 AVPR1A 23/4885GPR119 52/4885USP2 4450/4885
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OXER1, OGFRL1, ORMDL3 AVPR1A 14/4885GPR119 174/4885USP2 4129/4885

“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.