SCHEMBL1778381

SCHEMBL1778381

NC(=O)CC1CCCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1778386 1.00 L3MBTL1 (0.40) L3MBTL1POLBHCRTR1HCRTR2ITGB3
SCHEMBL1778806 0.86 L3MBTL1 (0.38) L3MBTL1POLBHCRTR1HCRTR2ITGB3
SCHEMBL1778803 0.86 L3MBTL1 (0.38) L3MBTL1POLBHCRTR1HCRTR2ITGB3
SCHEMBL1257532 0.85 POLB (0.42) L3MBTL1POLBHCRTR1HCRTR2ITGB3
SCHEMBL1778076 0.85 POLB (0.42) L3MBTL1POLBHCRTR1HCRTR2ITGB3
SCHEMBL17276085 0.82 HCRTR1 (0.40) L3MBTL1POLBHCRTR1HCRTR2NPC1
SCHEMBL2679802 0.81 POLB (0.42) L3MBTL1POLBHRH3NPC1RAB9A
SCHEMBL1596887 0.81 POLB (0.42) L3MBTL1POLBHRH3NPC1RAB9A
SCHEMBL1596883 0.81 POLB (0.42) L3MBTL1POLBHRH3NPC1RAB9A
SCHEMBL19468122 0.81 L3MBTL1 (0.37) L3MBTL1POLBHCRTR1HCRTR2ITGB3

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 L3MBTL1 4729/4885POLB 4624/4885HCRTR1 2/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR L3MBTL1 4569/4885POLB 4779/4885HCRTR1 2/4885

“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.