SCHEMBL7207970

SCHEMBL7207970

CSc1ccc(Oc2ccc(N(C)S(C)(=O)=O)cc2C#N)cc1C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.49
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
AR P10275 3/20 0.39
SLC22A12 Q96S37 5/20 0.39
PLA2G7 Q13093 3/20 0.38
EPAS1 Q99814 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL6151699 0.84 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3SLC22A12PLA2G7
SCHEMBL7211315 0.81 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL7741483 0.79 SLC6A4 (0.65) SLC6A4ARSLC22A12PLA2G7EPAS1
SCHEMBL7207979 0.78 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3
SCHEMBL6862061 0.74 ALDH1A1 (0.49) AR
SCHEMBL6049214 0.74 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3
SCHEMBL3363560 0.73 SCN9A (0.58) SLC22A12PLA2G7
SCHEMBL1628532 0.73 NPSR1 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL16453433 0.70 LRRK2 (0.48) SLC6A4SLC6A2SLC6A3AREPAS1
SCHEMBL6952015 0.69 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3

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.