SCHEMBL2863504

SCHEMBL2863504

O=C(Nc1ccc2cc[nH]c2c1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.58
ADRB2 P07550 1/20 0.54
APLNR P35414 1/20 0.54
GLP1R P43220 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
GPR119 Q8TDV5 1/20 0.54
FAAH O00519 2/20 0.46
CFTR P13569 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRA6 Q16445 1/20 0.39
GHSR Q92847 2/20 0.37
GOT1 P17174 4/20 0.37
RXFP2 Q8WXD0 1/20 0.37
ESR1 P03372 2/20 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
SCHEMBL2871583 0.94 NPSR1 (0.57) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2867186 0.84 NPSR1 (0.71) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861329 0.82 NPSR1 (0.56) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2867435 0.82 NPSR1 (0.58) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2856713 0.82 NPSR1 (0.74) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2864823 0.82 NPSR1 (0.65) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2870721 0.82 NPSR1 (0.65) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2862686 0.81 NPSR1 (0.60) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863271 0.81 NPSR1 (0.65) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861928 0.80 NPSR1 (0.65) 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.