SCHEMBL1808455

SCHEMBL1808455

Cc1nn(-c2c(F)cccc2C#N)cc1C=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HTT P42858 2/20 0.33
POLB P06746 2/20 0.33
ERN1 O75460 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TYK2 P29597 3/20 0.32
KDM4E B2RXH2 2/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
PTGS2 P35354 1/20 0.31
JAK2 O60674 2/20 0.31
GRM5 P41594 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL1805377 0.86 ERN1 (0.40) ALDH1A1SMN1; SMN2HTTPOLBERN1
SCHEMBL1808978 0.82 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HTTPOLBERN1
SCHEMBL1806128 0.80 ERN1 (0.35) ALDH1A1SMN1; SMN2HTTPOLBERN1
SCHEMBL15252008 0.79 NOTUM (0.44) ALDH1A1SMN1; SMN2
SCHEMBL1806793 0.76 OPRL1 (0.43) ERN1
SCHEMBL1809429 0.76 POLB (0.32) ALDH1A1SMN1; SMN2HTTPOLBERN1
SCHEMBL1806040 0.75 HSD11B1 (0.40) ALDH1A1KDM4ERECQL
SCHEMBL1808442 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HTTPOLBERN1
SCHEMBL11972554 0.75 OPRL1 (0.43) ALDH1A1SMN1; SMN2HTTPOLBERN1
SCHEMBL1812768 0.74 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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 6 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
US-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-23 US 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 C5AR1 1916/4885ALDH1A1 509/4885SMN1; SMN2 3398/4885

“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.