SCHEMBL2863384

SCHEMBL2863384

O=C(Nc1ccnc2ccccc12)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.61
ADRB2 P07550 1/20 0.57
APLNR P35414 1/20 0.57
GLP1R P43220 1/20 0.57
FFAR4 Q5NUL3 1/20 0.57
GPR119 Q8TDV5 1/20 0.57
HDAC8 Q9BY41 2/20 0.47
FAAH O00519 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
HDAC3 O15379 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
PDGFRB P09619 1/20 0.38
KMT2A Q03164 2/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 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
SCHEMBL2870949 0.95 NPSR1 (0.59) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863075 0.85 NPSR1 (0.66) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2869308 0.83 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2862570 0.82 NPSR1 (0.64) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861974 0.81 NPSR1 (0.66) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2862925 0.81 NPSR1 (0.56) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2867186 0.81 NPSR1 (0.71) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863331 0.81 NPSR1 (0.58) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861928 0.81 NPSR1 (0.65) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2867799 0.80 NPSR1 (0.62) 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.