SCHEMBL1808416

SCHEMBL1808416

Cc1nn(-c2c(F)cccc2CN(C(=O)O)C2CC2)cc1C=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.37
ALDH1A1 P00352 4/20 0.36
OPRM1 P35372 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.35
REN P00797 8/20 0.35
KCNH2 Q12809 8/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1835462 0.88 ALDH1A1 (0.36) OPRL1ALDH1A1OPRM1RAB9ATSHR
SCHEMBL11972841 0.86 OPRL1 (0.41) OPRL1ALDH1A1OPRM1RAB9AREN
SCHEMBL11991804 0.85 OPRL1 (0.35) OPRL1ALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL11972554 0.81 OPRL1 (0.43) OPRL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1805377 0.75 ERN1 (0.40) OPRL1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL1808442 0.74 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1810586 0.74 OPRL1 (0.37) OPRL1ALDH1A1OPRM1REN
SCHEMBL11972717 0.73 ALDH1A1 (0.34) OPRL1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL1808978 0.72 ALDH1A1 (0.37) ALDH1A1RAB9ATSHRMEN1KMT2A
SCHEMBL1805087 0.71 CYP2A13 (0.48) OPRL1ALDH1A1SMN1; SMN2

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 509/4885OPRM1 18/4885

“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.