SCHEMBL1776235

SCHEMBL1776235

O=C(CC1CCCCN1C(=O)O)NNC(=O)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.48
HCRTR2 O43614 4/20 0.48
ALDH1A1 P00352 3/20 0.48
DPP4 P27487 1/20 0.43
BCL3 P20749 1/20 0.43
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6645932 1.00 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1DPP4BCL3
SCHEMBL1779310 0.91 HPGD (0.45) HCRTR1HCRTR2ALDH1A1DPP4MAPT
SCHEMBL6641310 0.87 ALDH1A1 (0.42) HCRTR1HCRTR2ALDH1A1DPP4L3MBTL1
SCHEMBL1777384 0.87 ALDH1A1 (0.42) HCRTR1HCRTR2ALDH1A1DPP4L3MBTL1
SCHEMBL6646483 0.79 RHOC (0.39) HCRTR1HCRTR2ALDH1A1DPP4NPC1
SCHEMBL1778081 0.79 RHOC (0.39) HCRTR1HCRTR2ALDH1A1DPP4NPC1
SCHEMBL1777409 0.79 HCRTR1 (0.49) HCRTR1HCRTR2MAPTL3MBTL1
SCHEMBL1779433 0.77 L3MBTL1 (0.54) HCRTR1HCRTR2ALDH1A1KMT2AMEN1
SCHEMBL1779434 0.77 L3MBTL1 (0.54) HCRTR1HCRTR2ALDH1A1KMT2AMEN1
SCHEMBL1777690 0.75 RAB9A (0.51) ALDH1A1NPC1KMT2ATP53MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 US disclosed
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. 2009-03-26 US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 US disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP disclosed
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2004-10-28 US disclosed
EP-1406897-A2 COMPOUNDS SmithKline Beecham plc (GB) 2004-04-14 EP disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 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 (2 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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885ALDH1A1 1534/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885ALDH1A1 1449/4885

“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.