SCHEMBL1778076

SCHEMBL1778076

O=C(O)C[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR1 O14842 7/20 0.41
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 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
SCHEMBL1257532 1.00 POLB (0.42) POLBL3MBTL1FFAR1ITGB3ITGA2B
SCHEMBL1777982 0.94 POLB (0.48) POLBL3MBTL1FFAR1PPARG
SCHEMBL1777983 0.94 POLB (0.48) POLBL3MBTL1FFAR1PPARG
SCHEMBL4066863 0.94 POLB (0.48) POLBL3MBTL1FFAR1PPARG
SCHEMBL11996972 0.85 FFAR1 (0.34) POLBL3MBTL1FFAR1
SCHEMBL1778386 0.85 L3MBTL1 (0.40) POLBL3MBTL1ITGB3ITGA2BHCRTR1
SCHEMBL12606503 0.85 CHRM2 (0.44) POLBL3MBTL1FFAR1
SCHEMBL18896374 0.85 POLB (0.40) POLBL3MBTL1FFAR1ITGB3ITGA2B
SCHEMBL1778381 0.85 L3MBTL1 (0.40) POLBL3MBTL1ITGB3ITGA2BHCRTR1
SCHEMBL3043412 0.82 POLB (0.38) POLBL3MBTL1HCRTR1HCRTR2HRH3

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 POLB 4624/4885L3MBTL1 4729/4885FFAR1 252/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR POLB 4779/4885L3MBTL1 4569/4885FFAR1 206/4885

“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.