SCHEMBL1808403

SCHEMBL1808403

Cc1nn(-c2ncccc2C2CC2)cc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.39
OPRM1 P35372 3/20 0.37
KCNH2 Q12809 2/20 0.37
PDK2 Q15119 1/20 0.35
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
PDE2A O00408 1/20 0.33
SYK P43405 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 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
SCHEMBL1805950 0.77 PDK2 (0.35) PDK2SSTR1SSTR4NPC1RAB9A
SCHEMBL1805919 0.76 ELANE (0.47) NPC1RAB9AKDM4EGAAHTT
SCHEMBL1806878 0.75 OPRL1 (0.47) OPRL1OPRM1KCNH2NPC1RAB9A
SCHEMBL1806339 0.75 OPRL1 (0.46) OPRL1OPRM1KCNH2SYKNPC1
SCHEMBL4034446 0.71 SMN1; SMN2 (0.44) SYKNPC1RAB9AMEN1KMT2A
SCHEMBL32685167 0.67 PDK2 (0.46) PDK2
SCHEMBL15354765 0.67 PDK2 (0.46) PDK2
SCHEMBL20244874 0.67 CYP1A2 (0.45) PDK2MEN1KMT2A
SCHEMBL21942819 0.66 ALDH1A1 (0.52) PDK2SSTR1SSTR4KMT2ALMNA
SCHEMBL30852252 0.66 ALDH1A1 (0.52) PDK2SSTR1SSTR4KMT2ALMNA

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
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 (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 OPRL1 4/4885OPRM1 65/4885KCNH2 897/4885

“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.