SCHEMBL1780231

SCHEMBL1780231

O=C(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)OCC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
PREP P48147 3/20 0.44
FKBP1A P62942 2/20 0.44
TMEM97 Q5BJF2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL1780229 1.00 USP2 (0.60) USP2PREPFKBP1ATMEM97SIGMAR1
SCHEMBL1777431 0.97 USP2 (0.61) USP2PREPNPC1RAB9ASMN1; SMN2
SCHEMBL1777437 0.97 USP2 (0.61) USP2PREPNPC1RAB9ASMN1; SMN2
SCHEMBL1776657 0.86 HPGD (0.46) USP2
SCHEMBL1776660 0.86 HPGD (0.46) USP2
SCHEMBL9037028 0.86 PREP (0.54) PREPNPC1RAB9ASMN1; SMN2ACE2
SCHEMBL12606509 0.84 HPGD (0.44) USP2NPC1RAB9A
SCHEMBL1778110 0.84 SMN1; SMN2 (0.51) PREPFKBP1ATMEM97SIGMAR1NPC1
SCHEMBL19349915 0.81 PREP (0.55) PREPFKBP1AACE2
SCHEMBL14535955 0.81 PREP (0.55) PREPFKBP1AACE2

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 USP2 2609/4885PREP 415/4885FKBP1A 1596/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR USP2 2591/4885PREP 434/4885FKBP1A 1466/4885

“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.