SCHEMBL1806223

SCHEMBL1806223

CCOC(=O)c1cn(-c2c(F)cccc2-c2nccn2C)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.38
TGFBR1 P36897 1/20 0.38
TBXAS1 P24557 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
RGS12 O14924 1/20 0.36
DCTPP1 Q9H773 1/20 0.35

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
SCHEMBL1809528 0.86 ALKBH1 (0.39) LMNATGFBR1BRD4
SCHEMBL1805095 0.79 NPSR1 (0.39) JMJD6LMNAPOLBPKMRAB9A
SCHEMBL1805412 0.79 BRD4 (0.39) LMNAPOLBNPSR1ALDH1A1BRD4
SCHEMBL11972749 0.79 TSHR (0.43) JMJD6LMNAPOLBPKMRAB9A
SCHEMBL1806985 0.78 MAPT (0.38) JMJD6JAK2JAK3LMNAPOLB
SCHEMBL1806507 0.78 NPSR1 (0.40) JMJD6LMNAPOLBPKMRAB9A
SCHEMBL27888223 0.78 MC4R (0.39) LMNABRD4
SCHEMBL1806188 0.77 BRD4 (0.39) LMNAPOLBSMN1; SMN2ALDH1A1BRD4
SCHEMBL1809873 0.76 KDM4E (0.43) LMNAPOLBPKMSMN1; SMN2NPSR1
SCHEMBL1807100 0.76 L3MBTL1 (0.39) JMJD6LMNAPOLBPKMRAB9A

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 JMJD6 4193/4885JAK2 2331/4885JAK3 4662/4885

“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.