SCHEMBL1803399

SCHEMBL1803399

CCOC(=O)c1cn(-c2c(F)cccc2CN2CCOCC2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
CYP2A13 Q16696 1/20 0.44
OPRL1 P41146 8/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1806507 0.82 NPSR1 (0.40) ALDH1A1KDM4EPOLBOPRL1HSD17B10
SCHEMBL1813010 0.81 OPRL1 (0.53) CYP2A13OPRL1
SCHEMBL1807100 0.81 L3MBTL1 (0.39) ALDH1A1KDM4EPOLBMAPK1TSHR
SCHEMBL27871918 0.80 CYP2A13 (0.49) ALDH1A1KDM4ECYP2A13OPRL1SMN1; SMN2
SCHEMBL11971975 0.80 GNRHR (0.41) POLBOPRL1MAPK1LMNA
SCHEMBL1811067 0.80 GNRHR (0.38) ALDH1A1KDM4EPOLBMAPK1LMNA
SCHEMBL1805087 0.79 CYP2A13 (0.48) ALDH1A1CYP2A13OPRL1SMN1; SMN2
SCHEMBL1805130 0.77 L3MBTL1 (0.39) ALDH1A1KDM4EPOLBTP53MAPK1
SCHEMBL11972749 0.77 TSHR (0.43) ALDH1A1KDM4EPOLBHSD17B10TP53
SCHEMBL1805095 0.75 NPSR1 (0.39) ALDH1A1KDM4EPOLBTP53MAPK1

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 ALDH1A1 509/4885KDM4E 3039/4885POLB 3631/4885

“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.