SCHEMBL2862001

SCHEMBL2862001

O=C(NCCN1CCCCC1)N1CCN2C(=O)OC(c3cccc(F)c3)(c3cccc(F)c3)C2C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.60
ADRB2 P07550 1/20 0.60
APLNR P35414 1/20 0.60
GLP1R P43220 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
GPR119 Q8TDV5 1/20 0.60
CACNA1G O43497 3/20 0.40
KCNN4 O15554 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR3A P46098 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PLD2 O14939 2/20 0.36
PLD1 Q13393 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAP4K4 O95819 1/20 0.36
PKM P14618 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
SCHEMBL2863390 0.90 NPSR1 (0.68) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2858184 0.89 NPSR1 (0.71) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863106 0.89 NPSR1 (0.71) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863794 0.88 NPSR1 (0.56) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2868693 0.88 NPSR1 (0.73) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL6039846 0.85 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2861670 0.85 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2867842 0.84 NPSR1 (0.60) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2856679 0.84 NPSR1 (0.84) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2867836 0.83 NPSR1 (0.69) 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 6 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 claimed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US claimed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP claimed
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.