SCHEMBL2868957

SCHEMBL2868957

CC(C)(C)OC(=O)N1CCC(NC(=O)C2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
USP30 Q70CQ3 1/20 0.41
MAPK8 P45983 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
EPHX1 P07099 1/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
STS P08842 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL2861989 0.87 GPR119 (0.41) KDM4EPKMGPR119STSMEN1
SCHEMBL2863393 0.86 CHRM2 (0.41) KDM4EPKMGPR119NPSR1
SCHEMBL2865259 0.86 P2RX4 (0.40) FPR3FPR2MAPK1NPSR1
SCHEMBL2869203 0.85 KDM4E (0.45) KDM4EPKMGPR119STSMEN1
Hydrochloric Acid SCHEMBL2862020 0.82 HTR4 (0.39) KDM4EFPR3FPR2POLBMAPK1
SCHEMBL6039467 0.81 NPSR1 (0.37) GPR119POLBMAPK1NPSR1
SCHEMBL2863663 0.75 BRD4 (0.33) MEN1KMT2ANPSR1
SCHEMBL2860998 0.74 NPSR1 (0.41) POLBL3MBTL1NPSR1LMNA
SCHEMBL2871625 0.72 NPSR1 (0.35) NPSR1
SCHEMBL2862082 0.71 HTR4 (0.43) POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 EPHX2 1947/4885KDM4E 2385/4885PKM 4094/4885

“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.