SCHEMBL2864534

SCHEMBL2864534

O=C(NCCc1ccccc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.82
ADRB2 P07550 1/20 0.72
APLNR P35414 1/20 0.72
GLP1R P43220 1/20 0.72
FFAR4 Q5NUL3 1/20 0.72
GPR119 Q8TDV5 1/20 0.72
NAMPT P43490 3/20 0.43
TPSAB1 Q15661 1/20 0.43
ASAH1 Q13510 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2865324 0.90 NPSR1 (1.00) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2860994 0.87 NPSR1 (0.78) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2864635 0.85 NPSR1 (0.73) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2868693 0.85 NPSR1 (0.73) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2863758 0.85 NPSR1 (0.73) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2868272 0.85 NPSR1 (0.72) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2869044 0.85 NPSR1 (0.69) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2858184 0.85 NPSR1 (0.71) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863106 0.85 NPSR1 (0.71) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2868056 0.84 NPSR1 (0.74) NPSR1ADRB2APLNRGLP1RFFAR4

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 NPSR1 211/4885ADRB2 449/4885APLNR 136/4885

“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.