SCHEMBL7066474

SCHEMBL7066474

CNCc1cc(C(N)=O)ccc1Oc1ccc2c(c1)CCS2

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.62
KCNH2 Q12809 2/20 0.62
HTR2A P28223 1/20 0.62
SLC6A2 P23975 11/20 0.52
SLC6A3 Q01959 10/20 0.52
HRH3 Q9Y5N1 11/20 0.45

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
SCHEMBL7130346 0.90 SLC6A4 (0.52) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL7213331 0.84 SLC6A4 (0.54) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL7067210 0.82 SLC6A4 (0.54) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL5878721 0.76 SLC6A4 (0.72) SLC6A4KCNH2HTR2ASLC6A2
SCHEMBL5502191 0.75 SLC6A4 (0.62) SLC6A4KCNH2HTR2A
SCHEMBL6151953 0.74 SLC6A4 (0.67) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
Formic Acid SCHEMBL5999552 0.74 SLC6A4 (0.55) SLC6A4KCNH2HTR2A
SCHEMBL7066916 0.74 SLC6A4 (0.67) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL3354024 0.74 KDM1A (0.43)
SCHEMBL6151620 0.72 SLC6A4 (0.64) SLC6A4KCNH2HTR2ASLC6A2SLC6A3

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-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 claimed
EP-1313701-A1 PHENOXYBENZYLAMINE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2003-05-28 EP claimed
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 claimed
WO-2002018333-A1 PHENOXYBENZYLAMINE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2002-03-07 WO claimed
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
EP-1313701-A1 PHENOXYBENZYLAMINE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2003-05-28 EP 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
WO-2002018333-A1 PHENOXYBENZYLAMINE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2002-03-07 WO 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 5/4885KCNH2 568/4885HTR2A 18/4885

“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.