SCHEMBL2860577

SCHEMBL2860577

O=C(NCc1ccc2ccccc2c1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.80
ADRB2 P07550 1/20 0.76
APLNR P35414 1/20 0.76
GLP1R P43220 1/20 0.76
FFAR4 Q5NUL3 1/20 0.76
GPR119 Q8TDV5 1/20 0.76
TPSAB1 Q15661 3/20 0.48
FAAH O00519 1/20 0.39
MCHR1 Q99705 1/20 0.39
CHRNA7 P36544 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HRH3 Q9Y5N1 3/20 0.37
OPRK1 P41145 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL2865324 0.89 NPSR1 (1.00) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2858847 0.89 NPSR1 (0.82) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2871763 0.87 NPSR1 (0.86) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2856311 0.87 NPSR1 (1.00) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2870788 0.87 NPSR1 (0.86) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861754 0.86 NPSR1 (0.82) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2867688 0.85 NPSR1 (0.86) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2865675 0.84 NPSR1 (0.82) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2869138 0.84 NPSR1 (0.82) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863290 0.84 NPSR1 (0.81) 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.