SCHEMBL5582137

SCHEMBL5582137

CN(Cc1cccc(C(=O)N2CCN3C(=O)OC(c4ccccc4)(c4ccccc4)C3C2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
ADRB2 P07550 1/20 0.47
APLNR P35414 1/20 0.47
GLP1R P43220 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PARP1 P09874 1/20 0.36
HTR2C P28335 3/20 0.36
SLC6A4 P31645 3/20 0.36
GLS O94925 1/20 0.36
LMNA P02545 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2858322 0.86 NPSR1 (0.54) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL6039458 0.81 NPSR1 (0.64) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2863720 0.81 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2862202 0.81 NPSR1 (0.63) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2865266 0.80 NPSR1 (0.69) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2862930 0.78 NPSR1 (0.60) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863518 0.77 NPSR1 (0.55) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2859470 0.76 NPSR1 (0.54) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863356 0.75 NPSR1 (0.55) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863389 0.74 NPSR1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.