SCHEMBL2404409

SCHEMBL2404409

O=C(C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.48
ALDH1A1 P00352 1/20 0.47
DPP4 P27487 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
PREP P48147 1/20 0.47
EPHX2 P34913 1/20 0.47
HRH3 Q9Y5N1 2/20 0.45
MAPT P10636 3/20 0.45
CNR1 P21554 2/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
KDM2B Q8NHM5 1/20 0.43
POLB P06746 1/20 0.43
SFRP1 Q8N474 1/20 0.43

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
SCHEMBL2404410 1.00 TRPV4 (0.48) TRPV4ALDH1A1DPP4DPP7PREP
SCHEMBL2399850 0.98 TRPV4 (0.51) TRPV4ALDH1A1DPP4DPP7PREP
SCHEMBL2399848 0.98 TRPV4 (0.51) TRPV4ALDH1A1DPP4DPP7PREP
SCHEMBL2403401 0.87 DPP4 (0.58) ALDH1A1DPP4DPP7EPHX2KCNH2
SCHEMBL2403404 0.87 DPP4 (0.58) ALDH1A1DPP4DPP7EPHX2KCNH2
SCHEMBL2401122 0.86 ALDH1A1 (0.50) ALDH1A1DPP4DPP7HRH3MEN1
SCHEMBL2401119 0.86 ALDH1A1 (0.50) ALDH1A1DPP4DPP7HRH3MEN1
SCHEMBL2403542 0.85 DPP4 (0.58) ALDH1A1DPP4DPP7EPHX2KCNH2
SCHEMBL2403540 0.85 DPP4 (0.58) ALDH1A1DPP4DPP7EPHX2KCNH2
SCHEMBL2405879 0.84 KMT2A (0.58) ALDH1A1HRH3MAPTMEN1KMT2A

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 8 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
CN-101370779-B Cyclohexyl sulfonamide derivatives having H3 receptor activity HOFFMANN LA ROCHE 2011-07-20 CN 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
CN-101370779-A Cyclohexyl sulfonamide derivatives having H3 receptor activity HOFFMANN LA ROCHE (CH) 2009-02-18 CN disclosed
EP-1979322-A1 CYCLOHEXYL SULFONAMIDE DERIVATIVES HAVING H3 RECEPTOR ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082840-A1 CYCLOHEXYL SULFONAMIDE DERIVATIVES HAVING H3 RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO 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 TRPV4 294/4885ALDH1A1 430/4885DPP4 1782/4885
US-20070173511-A1 Cyclohexyl sulfonamide derivatives HRH3, HRH4, HRH1 TRPV4 294/4885ALDH1A1 430/4885DPP4 1782/4885

“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.