SCHEMBL1805950

SCHEMBL1805950

Cc1nn(-c2ncccc2C2CC2)cc1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.35
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
DRD1 P21728 3/20 0.32
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
IDO1 P14902 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDK4 Q16654 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL1809006 0.83 PDE10A (0.33) ALDH1A1
SCHEMBL1805076 0.79 HDAC9 (0.40) TRIM24TRIM33KMT2AKDM4EMEN1
SCHEMBL1803648 0.79 KCNH2 (0.41) TRIM24TRIM33KMT2AKDM4EMEN1
SCHEMBL1808403 0.77 OPRL1 (0.39) PDK2SSTR1SSTR4KMT2AKDM4E
SCHEMBL1806557 0.76 FAAH (0.38) KMT2AKDM4EMEN1RAB9AL3MBTL1
SCHEMBL1806040 0.75 HSD11B1 (0.40) TRIM24TRIM33KDM4EALDH1A1RECQL
SCHEMBL1807552 0.74 POLB (0.33) TRIM24TRIM33KMT2AKDM4EMEN1
SCHEMBL1805919 0.74 ELANE (0.47) KDM4ERAB9ANPC1NPSR1ALDH1A1
SCHEMBL1806018 0.73 OPRL1 (0.41) TRIM24TRIM33KMT2AKDM4EMEN1
SCHEMBL1807042 0.73 OPRL1 (0.41) TRIM24TRIM33KMT2AKDM4EMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102612520-B Spiropiperidine compounds as orl-1 receptor antagonists LILLY CO ELI 2015-04-08 CN disclosed
EP-2501703-B1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS 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
US-8232289-B2 Spiropiperidine compounds as ORL-1 receptor antagonists ELI LILLY AND COMPANY (US) 2012-07-31 US disclosed
US-8232289-B2 Spiropiperidine compounds as ORL-1 receptor antagonists ELI LILLY AND COMPANY (US) 2012-07-31 US 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
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 US 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 PDK2 1272/4885TRIM24 4514/4885TRIM33 4619/4885

“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.