SCHEMBL701104

SCHEMBL701104

O=C(CCCC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC(CCCN2CCCC2)(c2cccnc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.39
HSD11B1 P28845 3/20 0.35
HTR1A P08908 4/20 0.35
DRD2 P14416 3/20 0.35
HTR1D P28221 2/20 0.35
HTR2B P41595 2/20 0.35
DRD3 P35462 1/20 0.35
HCRTR1 O43613 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
NAMPT P43490 1/20 0.34
TACR1 P25103 1/20 0.34
HTR2A P28223 2/20 0.34
HTR6 P50406 2/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL701483 0.92 HTR7 (0.40) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL703365 0.89 TACR1 (0.36) HTR7HSD11B1HCRTR1NAMPTTACR1
SCHEMBL3442292 0.88 HTR7 (0.36) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL700048 0.82 ALDH1A1 (0.37) HTR7DRD2DRD3ALDH1A1ADAMTS5
SCHEMBL702140 0.81 KMT2A (0.37) HTR7HTR1AHCRTR1TACR1
SCHEMBL700842 0.80 HTR7 (0.51) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL701428 0.80 HCRTR1 (0.35) HTR7HCRTR1ALDH1A1ADAMTS5NAMPT
SCHEMBL700014 0.79 BDKRB1 (0.46) HSD11B1
SCHEMBL4296232 0.78 HTR7 (0.38) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3441798 0.77 KCNQ1 (0.34) HSD11B1HCRTR1NAMPTTACR1

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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US claimed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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 (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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 HTR7 522/4885HSD11B1 1506/4885HTR1A 247/4885

“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.