SCHEMBL1996924

SCHEMBL1996924

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)cc2)CCN1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLNR O43193 10/20 0.83
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 2/20 0.52
CYP2C9 P11712 1/20 0.51
DRD3 P35462 1/20 0.51
HTR6 P50406 1/20 0.51
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2005562 0.91 MLNR (1.00) MLNRKMT2AGAAMEN1KDM4E
SCHEMBL12567804 0.83 MLNR (0.59) MLNRKMT2AMEN1KDM4EALDH1A1
SCHEMBL2849480 0.83 MLNR (0.58) MLNRKMT2AGAAMEN1KDM4E
SCHEMBL1999376 0.79 MLNR (0.54) MLNRKMT2AGAAMEN1KDM4E
SCHEMBL3658076 0.79 MLNR (0.54) MLNRKMT2AGAAMEN1KDM4E
SCHEMBL1995618 0.79 MLNR (0.67) MLNR
SCHEMBL2003663 0.79 MLNR (0.67) MLNRCYP2D6
SCHEMBL1997887 0.79 MLNR (0.82) MLNR
SCHEMBL1999378 0.78 MLNR (0.53) MLNRKMT2AGAAMEN1KDM4E
SCHEMBL10192088 0.77 GAA (0.86) MLNRKMT2AGAAMEN1KDM4E

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 4 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 claimed
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD. 2010-10-07 US claimed
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

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 MLNR 12/4885KMT2A 3566/4885GAA 585/4885

“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.