SCHEMBL2869082

SCHEMBL2869082

O=C1OC(c2ccccc2)(c2ccccc2)N2C1CNCC2S(=O)(=O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
CRBN Q96SW2 1/20 0.32
PARP1 P09874 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL2865435 0.83 NPSR1 (0.35) NPSR1
SCHEMBL2866028 0.80 NPSR1 (0.40) NPSR1CRBN
SCHEMBL2869050 0.74 NPSR1 (0.41) NPSR1PARP1KMT2A
SCHEMBL2864536 0.73 MC4R (0.46) NPSR1KMT2A
SCHEMBL2872884 0.73 CHRM3 (0.44) NPSR1
SCHEMBL2862229 0.73 NPSR1 (0.39) NPSR1
SCHEMBL2871880 0.71 NPSR1 (0.40) NPSR1KMT2AHPGDTSHR
SCHEMBL2860998 0.70 NPSR1 (0.41) NPSR1TSHR
SCHEMBL2863305 0.70 NPSR1 (0.45) NPSR1TSHR
SCHEMBL2861757 0.70 NPSR1 (0.47) NPSR1KMT2A

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 211/4885CRBN 3159/4885PARP1 3702/4885

“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.