SCHEMBL2403404

SCHEMBL2403404

O=C([C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.58
DPP7 Q9UHL4 9/20 0.58
KCNH2 Q12809 5/20 0.58
DRD2 P14416 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
EPHX2 P34913 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45

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
SCHEMBL2403401 1.00 DPP4 (0.58) DPP4DPP7KCNH2DRD2ADRA1D
SCHEMBL2403540 0.98 DPP4 (0.58) DPP4DPP7KCNH2DRD2ADRA1D
SCHEMBL2403542 0.98 DPP4 (0.58) DPP4DPP7KCNH2DRD2ADRA1D
SCHEMBL2404410 0.87 TRPV4 (0.48) DPP4DPP7KCNH2EPHX2ALDH1A1
SCHEMBL2404409 0.87 TRPV4 (0.48) DPP4DPP7KCNH2EPHX2ALDH1A1
SCHEMBL2401427 0.85 DPP4 (0.56) DPP4DPP7KCNH2DRD2ADRA1D
SCHEMBL2401429 0.85 DPP4 (0.56) DPP4DPP7KCNH2DRD2ADRA1D
SCHEMBL2399850 0.85 TRPV4 (0.51) DPP4DPP7KCNH2EPHX2ALDH1A1
SCHEMBL2399848 0.85 TRPV4 (0.51) DPP4DPP7KCNH2EPHX2ALDH1A1
SCHEMBL3325008 0.85 EPHX2 (0.59) EPHX2

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-8017773-B2 Cyclohexyl sulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
EP-1979322-B1 CYCLOHEXYL SULFONAMIDE DERIVATIVES HAVING H3 RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2010-09-01 EP disclosed
US-20100120791-A1 CYCLOHEXYL SULFONAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US disclosed
US-20070173511-A1 Cyclohexyl sulfonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 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 (2 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-20100120791-A1 CYCLOHEXYL SULFONAMIDE DERIVATIVES HRH3, HRH4, HRH1 DPP4 1782/4885DPP7 2242/4885KCNH2 1064/4885
US-20070173511-A1 Cyclohexyl sulfonamide derivatives HRH3, HRH4, HRH1 DPP4 1782/4885DPP7 2242/4885KCNH2 1064/4885

“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.