SCHEMBL1805397

SCHEMBL1805397

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.43
AVPR1A P37288 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL1808233 0.88 GPR119 (0.40) OPRL1AVPR1APOLBGPR119
SCHEMBL25358889 0.88 POLB (0.39) AVPR1APOLBMEN1KMT2AGPR119
SCHEMBL1808216 0.87 HDAC1 (0.39) AVPR1APOLBGPR119
SCHEMBL1810594 0.84 OPRL1 (0.49) OPRL1
SCHEMBL31387368 0.84 OPRL1 (0.39) OPRL1
SCHEMBL26064325 0.84 OPRL1 (0.39) OPRL1
SCHEMBL25357357 0.84 AVPR1A (0.40) AVPR1APOLBMEN1KMT2AGPR119
SCHEMBL25359460 0.84 AVPR1A (0.40) AVPR1APOLBMEN1KMT2AGPR119
SCHEMBL1805725 0.80 AVPR1A (0.40) AVPR1APOLBMEN1KMT2A
SCHEMBL1810886 0.80 OPRL1 (0.48) OPRL1POLBMEN1KMT2A

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-2501704-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
EP-2501703-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
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 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

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 OPRL1 1/4885AVPR1A 23/4885POLB 3631/4885
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OXER1, OGFRL1, ORMDL3 OPRL1 4/4885AVPR1A 14/4885POLB 3630/4885

“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.