SCHEMBL1810586

SCHEMBL1810586

Cc1nn(-c2c(F)cccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1CO

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.37
ALDH1A1 P00352 1/20 0.35
REN P00797 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
HTR2A P28223 3/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HSD11B1 P28845 1/20 0.33
HTR2C P28335 1/20 0.33
THRB P10828 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL11972841 0.88 OPRL1 (0.41) OPRL1ALDH1A1RENOPRM1
SCHEMBL1835462 0.87 ALDH1A1 (0.36) OPRL1ALDH1A1RENNR1H4HTR2A
SCHEMBL1803876 0.86 ALDH1A1 (0.39) ALDH1A1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL27888253 0.84 ALDH1A1 (0.37) ALDH1A1RENNR1H4HTR2ASLC6A4
SCHEMBL1813166 0.76 OPRL1 (0.49) OPRL1SLC6A4
SCHEMBL1808416 0.74 OPRL1 (0.37) OPRL1ALDH1A1RENOPRM1
SCHEMBL30079353 0.72 PIK3CD (0.39) NR1H4HTR2AOPRM1
SCHEMBL1808960 0.72 OPRL1 (0.42) OPRL1
SCHEMBL27888227 0.72 OPRL1 (0.42) OPRL1ALDH1A1
SCHEMBL1806313 0.71 OPRL1 (0.36) OPRL1

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 4 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
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 1/4885ALDH1A1 509/4885REN 918/4885

“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.