SCHEMBL1017863

SCHEMBL1017863

CC(C)C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.54
ENPEP Q07075 1/20 0.54
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
MAPT P10636 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
HIF1A Q16665 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RECQL P46063 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
PMP22 Q01453 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCL8 P10145 1/20 0.50

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
SCHEMBL4406176 0.90 ANPEP (0.59) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL11604512 0.90 ANPEP (0.59) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL4406179 0.90 ANPEP (0.59) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL11604147 0.86 ANPEP (0.56) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL18025417 0.86 ANPEP (0.56) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL3442890 0.86 ANPEP (0.56) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL26326620 0.86 ANPEP (0.56) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL24802100 0.85 ANPEP (0.54) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL25071257 0.85 ANPEP (0.54) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL15181323 0.85 ANPEP (0.54) ANPEPENPEPPTGS1PTGS2MAPT

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-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 US disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 EP disclosed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 EP disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 WO disclosed
US-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 US 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 (1 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-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 ANPEP 664/4885ENPEP 211/4885PTGS1 1525/4885

“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.