SCHEMBL2861329

SCHEMBL2861329

O=C(Nc1ccc2cnccc2c1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
ADRB2 P07550 1/20 0.52
APLNR P35414 1/20 0.52
GLP1R P43220 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
GPR119 Q8TDV5 1/20 0.52
IMPDH2 P12268 2/20 0.45
ROCK2 O75116 5/20 0.42
ROCK1 Q13464 3/20 0.41
PRMT3 O60678 9/20 0.41

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
SCHEMBL2861928 0.86 NPSR1 (0.65) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2865014 0.85 NPSR1 (0.62) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2867186 0.83 NPSR1 (0.71) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2862925 0.82 NPSR1 (0.56) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863504 0.82 NPSR1 (0.58) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2871583 0.81 NPSR1 (0.57) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2858281 0.81 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2856713 0.80 NPSR1 (0.74) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2870721 0.80 NPSR1 (0.65) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2864823 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.