SCHEMBL7160253

SCHEMBL7160253

CSc1ccc(Oc2ccc([N+](=O)[O-])cc2CN(C)C(=O)O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.54
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
TBXA2R P21731 4/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CACNA1C Q13936 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL6946066 0.88 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3ALDH1A1GAA
SCHEMBL7065552 0.86 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3TBXA2R
SCHEMBL7454203 0.82 HTR2A (0.50) SLC6A4SLC6A2SLC6A3TBXA2RFAAH
SCHEMBL6946030 0.82 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL7207979 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL7211332 0.80 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL7206539 0.77 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL11233311 0.75 ALDH1A1 (0.50) SLC6A4ALDH1A1GAA
SCHEMBL7211302 0.75 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL6947234 0.74 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1

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 4 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
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 5/4885SLC6A2 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.