SCHEMBL2865014

SCHEMBL2865014

O=C(Nc1cccnc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.62
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
GRIN2B Q13224 4/20 0.54
TRPV1 Q8NER1 1/20 0.44
FAAH O00519 5/20 0.43
PDGFRB P09619 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2C P28335 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2A P28223 1/20 0.39

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
SCHEMBL2867186 0.90 NPSR1 (0.71) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861928 0.89 NPSR1 (0.65) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2858281 0.85 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861329 0.85 NPSR1 (0.56) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863196 0.84 NPSR1 (0.82) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2856713 0.83 NPSR1 (0.74) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2870721 0.83 NPSR1 (0.65) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2864823 0.83 NPSR1 (0.65) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863271 0.82 NPSR1 (0.65) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2862570 0.82 NPSR1 (0.64) 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.