SCHEMBL7207979

SCHEMBL7207979

CSc1ccc(Oc2ccc(N(C)S(C)(=O)=O)cc2CN(C)C(=O)O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.54
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
HRH3 Q9Y5N1 3/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.38
ALDH1A1 P00352 1/20 0.36
GUSB P08236 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 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
SCHEMBL7206539 0.88 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL7211315 0.84 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL7211332 0.83 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL7160253 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL7207970 0.78 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL7211302 0.76 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HRH3GUSB
SCHEMBL7207148 0.76 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HRH3GUSB
SCHEMBL6945663 0.74 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3
SCHEMBL6947234 0.74 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL7207940 0.73 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HRH3GUSB

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 5/4885SLC6A2 9/4885SLC6A3 3/4885

“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.