SCHEMBL2003663

SCHEMBL2003663

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(Nc4ccc(F)cc4)nc3)cc2)CCN1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLNR O43193 17/20 0.67
CYP3A4 P08684 1/20 0.48
CNR2 P34972 1/20 0.45
CYP2D6 P10635 1/20 0.45
PRKAA2 P54646 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
SCHEMBL2000470 0.91 MLNR (0.62) MLNRCYP3A4CYP2D6
SCHEMBL1997887 0.88 MLNR (0.82) MLNRCYP3A4
SCHEMBL1995618 0.88 MLNR (0.67) MLNRCYP3A4
SCHEMBL1999589 0.85 MLNR (0.63) MLNRCYP3A4
SCHEMBL2005300 0.84 MLNR (0.63) MLNRCYP3A4
SCHEMBL3659038 0.83 MLNR (0.53) MLNRCNR2CYP2D6PRKAA2
SCHEMBL2005562 0.80 MLNR (1.00) MLNRCYP2D6
SCHEMBL2003276 0.79 MLNR (0.49) MLNRCNR2PRKAA2
SCHEMBL1996924 0.79 MLNR (0.83) MLNRCYP2D6
SCHEMBL2767450 0.78 MLNR (0.76) MLNR

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 9 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-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
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD. 2010-10-07 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
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 MLNR 12/4885CYP3A4 2888/4885CNR2 122/4885

“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.