SCHEMBL1809528

SCHEMBL1809528

Cc1nn(-c2c(F)cccc2-c2nccn2C)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.39
BRD4 O60885 1/20 0.38
HDAC4 P56524 2/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TGFBR1 P36897 1/20 0.34
ATR Q13535 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
RORC P51449 1/20 0.33
LMNA P02545 1/20 0.32
GRM4 Q14833 1/20 0.32
IDO1 P14902 1/20 0.32
EGFR P00533 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
PDK1 Q15118 1/20 0.32

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
SCHEMBL1806223 0.86 JMJD6 (0.41) BRD4TGFBR1LMNA
SCHEMBL1805412 0.81 BRD4 (0.39) BRD4HDAC4HTR2AHTR2CLMNA
SCHEMBL1806188 0.81 BRD4 (0.39) BRD4HDAC4ATRHTR2AHTR2C
SCHEMBL27888223 0.80 MC4R (0.39) BRD4HTR2AHTR2CLMNA
SCHEMBL15252008 0.73 NOTUM (0.44) ALKBH1
SCHEMBL1671337 0.72 BRD4 (0.51) BRD4HDAC4HCRTR1HCRTR2
SCHEMBL30533387 0.72 BRD4 (0.51) BRD4HDAC4HCRTR1HCRTR2
SCHEMBL1803916 0.70 NOTUM (0.52) ALKBH1HTR2CLMNA
SCHEMBL6911325 0.69 HSD11B1 (0.47) BRD4HDAC4HTR2AHTR2CLMNA
SCHEMBL14960634 0.69 BRD4 (0.53) BRD4HDAC4HCRTR1HCRTR2HTR2A

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 ALKBH1 4486/4885BRD4 2575/4885HDAC4 945/4885

“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.