SCHEMBL2870925

SCHEMBL2870925

O=C1CCC(NC(=O)C2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N23)N1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
DDB1 Q16531 2/20 0.31
CRBN Q96SW2 2/20 0.31
CNR2 P34972 1/20 0.31
CASP1 P29466 1/20 0.30
CASP8 Q14790 1/20 0.30

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
SCHEMBL6039452 0.83 HTR4 (0.39) NPSR1CASP1CASP8
Hydrochloric Acid SCHEMBL2862020 0.82 HTR4 (0.39) NPSR1CASP1CASP8
SCHEMBL2861714 0.81 NPSR1 (0.40) NPSR1
SCHEMBL2865537 0.81 ALDH1A1 (0.40)
SCHEMBL2865259 0.80 P2RX4 (0.40) NPSR1
SCHEMBL2860998 0.79 NPSR1 (0.41) NPSR1
SCHEMBL2869479 0.79 MC4R (0.41) NPSR1DDB1CRBNCASP1CASP8
SCHEMBL2856717 0.77 NPSR1 (0.46) NPSR1
SCHEMBL2868059 0.77 NPSR1 (0.39) NPSR1
SCHEMBL2861976 0.77 ALDH1A1 (0.40) NPSR1DDB1CRBN

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 211/4885DDB1 4612/4885CRBN 3159/4885

“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.