SCHEMBL2401730

SCHEMBL2401730

CC(C)N1CCN(C(=O)C2CCC(NS(=O)(=O)c3ccccc3F)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RORC P51449 1/20 0.45
CCR8 P51685 2/20 0.45
HSD11B1 P28845 1/20 0.45
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
DPP4 P27487 3/20 0.42
DPP7 Q9UHL4 2/20 0.42
KCNH2 Q12809 1/20 0.42
SFRP1 Q8N474 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
DPP8 Q6V1X1 1/20 0.41

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
SCHEMBL2401728 1.00 DRD2 (0.48) DRD2ADRA1DADRA1AADRA1BHTR6
SCHEMBL2403265 0.88 ALDH1A1 (0.53) DRD2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL2405226 0.88 ALDH1A1 (0.53) DRD2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL2401724 0.88 CCR8 (0.52) ALDH1A1CCR8HSD11B1HRH2HRH1
SCHEMBL2401720 0.88 CCR8 (0.52) ALDH1A1CCR8HSD11B1HRH2HRH1
SCHEMBL2403258 0.88 ALDH1A1 (0.53) DRD2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL2402947 0.88 DPP4 (0.56) DRD2ADRA1DADRA1AADRA1BCCR8
SCHEMBL2402954 0.88 DPP4 (0.56) DRD2ADRA1DADRA1AADRA1BCCR8
SCHEMBL2402011 0.86 DRD2 (0.49) DRD2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL2401507 0.86 DRD2 (0.49) DRD2ADRA1DADRA1AADRA1BALDH1A1

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 DRD2 1307/4885ADRA1D 154/4885ADRA1A 139/4885
US-20070173511-A1 Cyclohexyl sulfonamide derivatives HRH3, HRH4, HRH1 DRD2 1307/4885ADRA1D 154/4885ADRA1A 139/4885

“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.