SCHEMBL1995976

SCHEMBL1995976

C[C@H]1CN(Cc2ccc(N)cc2C(F)(F)F)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.53
MGLL Q99685 4/20 0.47
EPHX2 P34913 1/20 0.42
MAP4K4 O95819 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
ENPP2 Q13822 1/20 0.38
HDAC1 Q13547 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SETD7 Q8WTS6 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
NTRK1 P04629 1/20 0.36
SRC P12931 1/20 0.36
EPHA2 P29317 1/20 0.36
BMX P51813 1/20 0.36
EPHB4 P54760 1/20 0.36
DDR1 Q08345 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
SCHEMBL18921938 0.89 MGLL (0.47) NR1H2MGLLEPHX2PTGDR2ENPP2
SCHEMBL16380782 0.88 MGLL (0.46) NR1H2MGLLEPHX2PTGDR2SETD7
SCHEMBL13404742 0.88 NR1H2 (0.42) NR1H2MAP4K4PTGDR2HDAC1SETD7
SCHEMBL16335244 0.87 MGLL (0.50) MGLLEPHX2PTGDR2MEN1KMT2A
SCHEMBL16380742 0.87 MGLL (0.50) MGLLEPHX2PTGDR2MEN1KMT2A
SCHEMBL377501 0.87 MGLL (0.44) NR1H2MGLLMAP4K4PTGDR2ENPP2
SCHEMBL2853512 0.86 NR1H2 (0.58) NR1H2MGLLPTGDR2MEN1KMT2A
SCHEMBL13404768 0.86 ALDH1A1 (0.45) NR1H2EPHX2MAP4K4PTGDR2HDAC1
SCHEMBL17800238 0.85 MGLL (0.45) MGLLEPHX2DDR1
SCHEMBL16380761 0.85 MGLL (0.45) MGLLEPHX2DDR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD. 2010-10-07 US disclosed
EP-2212299-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES Glaxo Group Limited (GB) 2010-08-04 EP disclosed
WO-2009068552-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2009-06-04 WO disclosed
WO-2009068552-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2009-06-04 WO 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-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GPR68, GPR88, GIPR NR1H2 54/4885MGLL 1048/4885EPHX2 4155/4885

“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.