SCHEMBL639615

SCHEMBL639615

CN1CCC(N2CCN(S(=O)(=O)CCC[C@@H]3CCCN3S(=O)(=O)c3cccc4ccccc34)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 0.57
HTR1A P08908 10/20 0.57
DRD2 P14416 9/20 0.57
HTR2A P28223 9/20 0.57
HTR1D P28221 3/20 0.57
HTR2B P41595 3/20 0.57
DRD3 P35462 2/20 0.57
HTR2C P28335 2/20 0.57
HTR1B P28222 1/20 0.57
ADRA1B P35368 1/20 0.57
HTR6 P50406 8/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR4 P51679 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A4 P31645 1/20 0.39
CNR1 P21554 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
SCHEMBL639616 1.00 HTR7 (0.57) HTR7HTR1ADRD2HTR2AHTR1D
SCHEMBL10205616 0.97 HTR7 (0.56) HTR7HTR1ADRD2HTR2AHTR1D
Hydrochloric Acid SCHEMBL638957 0.96 HTR7 (0.55) HTR7HTR1ADRD2HTR2AHTR1D
SCHEMBL640634 0.80 HTR7 (0.40) HTR7HTR1ADRD2HTR1DDRD3
SCHEMBL640635 0.80 HTR7 (0.40) HTR7HTR1ADRD2HTR1DDRD3
SCHEMBL640204 0.80 CCR1 (0.44) HTR7HTR1ADRD2HTR1DDRD3
SCHEMBL640203 0.80 CCR1 (0.44) HTR7HTR1ADRD2HTR1DDRD3
SCHEMBL640999 0.79 KDM4E (0.41) HTR7HTR1ADRD2HTR2AHTR1D
SCHEMBL641000 0.79 KDM4E (0.41) HTR7HTR1ADRD2HTR2AHTR1D
SCHEMBL641485 0.79 MEN1 (0.47) HTR7HTR1ADRD2HTR1DDRD3

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-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US claimed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US claimed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 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-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 HTR7 905/4885HTR1A 199/4885DRD2 147/4885

“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.