SCHEMBL7211341

SCHEMBL7211341

CN(C)Cc1ccccc1Oc1ccc2ncccc2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.56
SLC6A2 P23975 14/20 0.56
SLC6A3 Q01959 13/20 0.56
HTR2A P28223 5/20 0.56
KCNH2 Q12809 2/20 0.56
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7065179 0.82 SLC6A4 (0.57) SLC6A4SLC6A2HTR2AKCNH2ALDH1A1
SCHEMBL7211583 0.80 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL9447156 0.75 GAA (0.66) ALDH1A1
SCHEMBL8877774 0.75 CYP3A4 (0.49) ALDH1A1
SCHEMBL17164822 0.75 NPC1 (0.61) ALDH1A1
SCHEMBL5417525 0.73 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL31238882 0.73 NPC1 (0.53) ALDH1A1
SCHEMBL19892685 0.73 NPC1 (0.53) ALDH1A1
Hydrochloric Acid SCHEMBL5417304 0.72 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL13463403 0.72 AURKA (0.53) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1449380-A Phenoxybenzylamine derivatives as selective serotonin re-uptake inhibitors PFIZER LTD (US) 2003-10-15 CN 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 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
CN-1449380-A Phenoxybenzylamine derivatives as selective serotonin re-uptake inhibitors PFIZER LTD (US) 2003-10-15 CN disclosed
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.