SCHEMBL2401518

SCHEMBL2401518

CC(C)N1CCN(C(=O)[C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.58
DPP7 Q9UHL4 9/20 0.58
KCNH2 Q12809 5/20 0.58
DPP8 Q6V1X1 2/20 0.56
DPP9 Q86TI2 2/20 0.56
DRD2 P14416 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
EPHX2 P34913 2/20 0.49
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL2401524 1.00 DPP4 (0.58) DPP4DPP7KCNH2DPP8DPP9
SCHEMBL2403503 0.88 PKM (0.58) L3MBTL1MEN1KMT2APKM
SCHEMBL2403509 0.88 PKM (0.58) L3MBTL1MEN1KMT2APKM
SCHEMBL2401427 0.87 DPP4 (0.56) DPP4DPP7KCNH2DPP8DPP9
SCHEMBL2401429 0.87 DPP4 (0.56) DPP4DPP7KCNH2DPP8DPP9
SCHEMBL2401343 0.87 EPHX2 (0.49) DPP4DPP7KCNH2EPHX2HRH3
SCHEMBL2946427 0.87 EPHX2 (0.49) DPP4DPP7KCNH2EPHX2HRH3
SCHEMBL2401335 0.87 EPHX2 (0.49) DPP4DPP7KCNH2EPHX2HRH3
SCHEMBL2401696 0.86 L3MBTL1 (0.50) DRD2ADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL2401700 0.86 L3MBTL1 (0.50) DRD2ADRA1DADRA1AADRA1BL3MBTL1

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.