SCHEMBL700842

SCHEMBL700842

O=C(CCCC1CCCCN1S(=O)(=O)c1cccc2ccccc12)N1CCC(CCCN2CCCC2)(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 19/20 0.51
HTR1A P08908 16/20 0.51
DRD2 P14416 16/20 0.51
HTR1D P28221 3/20 0.51
HTR2B P41595 3/20 0.51
DRD3 P35462 2/20 0.51
HTR2A P28223 15/20 0.47
HTR1B P28222 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR6 P50406 14/20 0.43
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CYP3A4 P08684 2/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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 0.88 HTR7 (0.40) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3441500 0.87 HTR7 (0.49) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL701153 0.83 CCR1 (0.36) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3442273 0.81 HTR7 (0.48) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL699942 0.81 HTR7 (0.36) HTR7HTR1A
SCHEMBL701104 0.80 HTR7 (0.39) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3441722 0.79 HTR7 (0.43) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3442043 0.78 HTR7 (0.48) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL702140 0.77 KMT2A (0.37) HTR7HTR1A
SCHEMBL699980 0.74 HTR7 (0.63) HTR7HTR1ADRD2HTR1DHTR2B

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 522/4885HTR1A 247/4885DRD2 1900/4885

“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.