SCHEMBL2864729

SCHEMBL2864729

O=C(COc1ccccc1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.34
USP2 O75604 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CPT1A P50416 2/20 0.33
CPT2 P23786 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2856555 0.84 NPSR1 (0.38) NPSR1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2869050 0.82 NPSR1 (0.41) NPSR1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2862229 0.80 NPSR1 (0.39) NPSR1SMN1; SMN2RAB9AADRA1A
SCHEMBL6039789 0.78 NPSR1 (0.43) NPSR1ALOX15SMN1; SMN2ALDH1A1
SCHEMBL2867203 0.78 NPSR1 (0.41) NPSR1ALOX15CPT1AHTR1AALDH1A1
SCHEMBL2861972 0.78 NPSR1 (0.46) NPSR1KMT2AMEN1L3MBTL1
SCHEMBL6039467 0.77 NPSR1 (0.37) NPSR1
SCHEMBL6039968 0.77 NPSR1 (0.35) NPSR1KMT2AMEN1RAB9A
SCHEMBL2862405 0.77 EP300 (0.47) KMT2AMEN1USP2L3MBTL1SMN1; SMN2
SCHEMBL2871618 0.77 CHRNB2 (0.40) NPSR1GAAKMT2AMEN1ALOX15

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 211/4885GAA 4495/4885KMT2A 922/4885

“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.