SCHEMBL1813010

SCHEMBL1813010

Cc1nn(-c2c(F)cccc2CN2CCOCC2)cc1CO

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.53
CYP2A13 Q16696 3/20 0.50
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL27871918 0.83 CYP2A13 (0.49) OPRL1CYP2A13DRD2DRD4DRD3
SCHEMBL1805087 0.83 CYP2A13 (0.48) OPRL1CYP2A13
SCHEMBL1803399 0.81 ALDH1A1 (0.45) OPRL1CYP2A13
SCHEMBL27888227 0.76 OPRL1 (0.42) OPRL1
SCHEMBL1808960 0.76 OPRL1 (0.42) OPRL1
SCHEMBL1813166 0.76 OPRL1 (0.49) OPRL1
SCHEMBL27871912 0.74 OPRL1 (0.40) OPRL1DRD2DRD4DRD3
SCHEMBL11972622 0.73 OPRL1 (0.87) OPRL1
SCHEMBL15251825 0.73 OPRL1 (0.54) OPRL1
SCHEMBL11972686 0.71 OPRL1 (0.40) OPRL1DRD2DRD4DRD3

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 5 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-2501704-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
CN-102666550-A Spiropiperidine compounds as ORL-1 receptor antagonists LILLY CO ELI 2012-09-12 CN disclosed
US-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-23 US disclosed
WO-2011060217-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-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OPRL1, ORMDL3, OGFRL1 OPRL1 1/4885CYP2A13 2960/4885DRD2 350/4885

“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.