SCHEMBL2868872

SCHEMBL2868872

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.65
ADRB2 P07550 1/20 0.59
APLNR P35414 1/20 0.59
GLP1R P43220 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
GPR119 Q8TDV5 1/20 0.59
ADAMTS5 Q9UNA0 10/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNN4 O15554 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP2 P08253 4/20 0.36
POLB P06746 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
SCHEMBL2869044 0.89 NPSR1 (0.69) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2862225 0.87 NPSR1 (0.66) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2860994 0.82 NPSR1 (0.78) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861708 0.80 NPSR1 (0.72) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2858769 0.80 NPSR1 (0.57) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL6039414 0.80 NPSR1 (0.59) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2860641 0.79 NPSR1 (0.62) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2867186 0.79 NPSR1 (0.71) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861969 0.79 NPSR1 (0.67) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2856681 0.79 NPSR1 (0.67) 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.