SCHEMBL1777437

SCHEMBL1777437

O=C(CC1CCCN1C(=O)OCc1ccccc1)OCC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.61
PREP P48147 3/20 0.47
ACE2 Q9BYF1 2/20 0.46
CTRB1 P17538 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1777431 1.00 USP2 (0.61) USP2PREPACE2CTRB1NPSR1
SCHEMBL1780231 0.97 USP2 (0.60) USP2PREPACE2NPC1RAB9A
SCHEMBL1780229 0.97 USP2 (0.60) USP2PREPACE2NPC1RAB9A
SCHEMBL9037028 0.90 PREP (0.54) PREPACE2CTRB1NPSR1NPC1
SCHEMBL19349915 0.84 PREP (0.55) PREPACE2CTRB1NPSR1TSHR
SCHEMBL14535955 0.84 PREP (0.55) PREPACE2CTRB1NPSR1TSHR
SCHEMBL1122261 0.83 PREP (0.55) PREPACE2CTRB1NPSR1NPC1
SCHEMBL1122258 0.83 PREP (0.55) PREPACE2CTRB1NPSR1NPC1
SCHEMBL1776660 0.82 HPGD (0.46) USP2L3MBTL1
SCHEMBL1776657 0.82 HPGD (0.46) USP2L3MBTL1

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
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
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 USP2 2609/4885PREP 415/4885ACE2 2128/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR USP2 2591/4885PREP 434/4885ACE2 2954/4885

“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.