SCHEMBL7207940

SCHEMBL7207940

CSc1ccc(Oc2cc(CN(C(=O)O)S(C)(=O)=O)ccc2CN(C)C)cc1C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.56
HTR2A P28223 3/20 0.37
KCNH2 Q12809 2/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A3 Q01959 4/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GUSB P08236 1/20 0.35

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
SCHEMBL7211373 0.82 SLC6A4 (0.63) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7207148 0.81 SLC6A4 (0.48) SLC6A4HTR2ASLC6A2SLC6A3HRH3
SCHEMBL6947234 0.75 SLC6A4 (0.65) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7737222 0.75 SLC6A4 (0.61) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6943256 0.74 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3HRH3GUSB
SCHEMBL6945836 0.74 SLC6A4 (0.63) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6945794 0.73 SLC6A4 (0.69) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7207979 0.73 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3GUSB
SCHEMBL7211594 0.72 SLC6A4 (0.69) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7741910 0.72 SLC6A4 (0.58) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610747-B2 Such as 4-(2,3-dihydro-1-benzothien-5-yloxy)-3-((methylamino) methyl)-benzenesulfonamide for use as serotonin re-uptake inhibitors (SSRIs) in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder PFIZER INC. 2003-08-26 US disclosed
US-20030060456-A1 Such as 4-(2,3-dihydro-1-benzothien-5-yloxy)-3-((methylamino) methyl)-benzenesulfonamide for use as serotonin re-uptake inhibitors (SSRIs) in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder PFIZER INC. 2003-03-27 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-20030060456-A1 Such as 4-(2,3-dihydro-1-benzothien-5-yloxy)-3-((methylamino) methyl)-benzenesulfonamide for use as serotonin re-uptake inhibitors (SSRIs) in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder HTR6, HTR2C, SLC6A3 SLC6A4 5/4885HTR2A 18/4885KCNH2 568/4885

“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.