SCHEMBL5111553

SCHEMBL5111553

O=C(NC1(C(=O)O)CCCCC1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HPGD P15428 1/20 0.41
EPHX1 P07099 1/20 0.40
MAPT P10636 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TSHR P16473 3/20 0.38
HSD11B1 P28845 2/20 0.38
MAPK1 P28482 1/20 0.38
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
HTT P42858 1/20 0.37
PTPN1 P18031 1/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36

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
SCHEMBL1842644 1.00 HDAC8 (0.47) HDAC8HDAC6HPGDEPHX1MAPT
SCHEMBL10666433 0.98 HDAC8 (0.43) HDAC8HDAC6HPGDEPHX1MAPT
SCHEMBL5110788 0.96 HDAC8 (0.42) HDAC8HDAC6HPGDEPHX1MAPT
SCHEMBL5102682 0.94 HDAC8 (0.39) HDAC8HDAC6HPGDEPHX1MAPT
SCHEMBL23441773 0.94 HDAC8 (0.39) HDAC8HDAC6HPGDEPHX1MAPT
SCHEMBL23441777 0.88 HDAC8 (0.35) HDAC8HDAC6HPGDEPHX1MAPT
SCHEMBL15241797 0.83 FPR2 (0.38) MAPTTSHRCNR1CNR2
SCHEMBL5676166 0.78 CHRM1 (0.42) HPGDEPHX1MAPTTSHRHTT
SCHEMBL10808711 0.74 ALDH1A1 (0.40) MAPTHTTCNR2
SCHEMBL21083880 0.74 P2RX7 (0.42) HDAC8HDAC6HPGDMAPTHSD11B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736489-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES Cellworks Research India Private Limited (IN) 2014-06-04 EP disclosed
WO-2013016718-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES CELLWORKS RESEARCH INDIA PRIVATE LIMITED (IN) 2013-01-31 WO disclosed
US-7342027-B2 1-phenylpiperidin-3-one derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2008-03-11 US disclosed
US-20050234057-A1 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof DONG-A PHARMACEUTICAL CO., LTD. (KR) 2005-10-20 US disclosed
WO-2004011457-A1 1-PHENYLPIPERIDIN-3-ONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2004-02-05 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 (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-20050234057-A1 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof CTRL, PRCP, CLPP HDAC8 1185/4885HDAC6 739/4885HPGD 842/4885

“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.