SCHEMBL2869203

SCHEMBL2869203

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
GPR119 Q8TDV5 4/20 0.40
YAP1 P46937 3/20 0.38
KDM1A O60341 1/20 0.38
STS P08842 1/20 0.37
TGFBR1 P36897 1/20 0.37
CSF1R P07333 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CCR5 P51681 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDR P35968 1/20 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
SCHEMBL2861989 0.87 GPR119 (0.41) KDM4EPKMGPR119STSMEN1
SCHEMBL2863393 0.86 CHRM2 (0.41) KDM4EPKMGPR119CCR5
SCHEMBL2868957 0.85 EPHX2 (0.41) KDM4EPKMGPR119STSMEN1
SCHEMBL6039467 0.81 NPSR1 (0.37) GPR119
SCHEMBL2864729 0.74 NPSR1 (0.38) MEN1KMT2A
SCHEMBL2869050 0.73 NPSR1 (0.41) KEAP1MEN1KMT2A
SCHEMBL2862229 0.71 NPSR1 (0.39)
SCHEMBL2856555 0.71 NPSR1 (0.38)
Hydrochloric Acid SCHEMBL2860814 0.70 NPSR1 (0.37) MEN1KMT2A
SCHEMBL2856589 0.70 NPSR1 (0.39)

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 KDM4E 2385/4885PKM 4094/4885GPR119 75/4885

“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.