SCHEMBL2863330

SCHEMBL2863330

O=C1OC(c2ccccc2)(c2ccccc2)N2C1CNCC2S(=O)(=O)C=Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
GPR183 P32249 8/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.33
HSD17B2 P37059 1/20 0.31
PIM1 P11309 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL2861996 0.79 NPSR1 (0.43) NPSR1GPR183KMT2AMEN1LMNA
SCHEMBL2865435 0.77 NPSR1 (0.35) NPSR1
SCHEMBL2869082 0.76 NPSR1 (0.38) NPSR1KMT2A
SCHEMBL2865327 0.72 LMNA (0.38) NPSR1KMT2AMEN1LMNA
SCHEMBL2858594 0.70 NPSR1 (0.40) NPSR1
SCHEMBL6039789 0.69 NPSR1 (0.43) NPSR1
SCHEMBL2856717 0.69 NPSR1 (0.46) NPSR1KMT2AMEN1LMNA
SCHEMBL2856315 0.68 NPSR1 (0.58) NPSR1KMT2AMEN1
SCHEMBL2867203 0.67 NPSR1 (0.41) NPSR1
SCHEMBL2861972 0.67 NPSR1 (0.46) NPSR1KMT2AMEN1

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 211/4885GPR183 56/4885KMT2A 922/4885

“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.