SCHEMBL2863393

SCHEMBL2863393

CC(C)(C)OC(=O)N1CCN(C(=O)C2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CCR5 P51681 3/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
HPGDS O60760 1/20 0.37
DTYMK P23919 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37

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 0.88 GPR119 (0.41) GPR119NPSR1KDM4EPKMHPGDS
SCHEMBL2869203 0.86 KDM4E (0.45) GPR119KDM4EPKMCCR5
SCHEMBL2868957 0.86 EPHX2 (0.41) GPR119NPSR1KDM4EPKM
SCHEMBL6039467 0.85 NPSR1 (0.37) GPR119HSD17B10NPSR1DDB1CRBN
SCHEMBL2864626 0.78 KEAP1 (0.41) NPSR1KDM4EATM
SCHEMBL2856555 0.74 NPSR1 (0.38) NPSR1
SCHEMBL2863663 0.74 BRD4 (0.33) NPSR1
SCHEMBL2871625 0.73 NPSR1 (0.35) NPSR1
SCHEMBL6039954 0.73 NPSR1 (0.37) NPSR1
SCHEMBL2864729 0.72 NPSR1 (0.38) NPSR1ALOX15

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 CHRM2 2284/4885CHRM4 3173/4885CHRM1 3048/4885

“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.