SCHEMBL7212872

SCHEMBL7212872

CSc1ccc(Oc2ccc(C#N)cc2CN(C)C(=O)O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.52
HTR2A P28223 2/20 0.40
KCNH2 Q12809 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NSD2 O96028 1/20 0.35
TBXA2R P21731 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
SCHEMBL6952015 0.76 SLC6A4 (0.62) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5114431 0.73 FFAR1 (0.48) NSD2
SCHEMBL6151948 0.71 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KMT2AHRH3
SCHEMBL7207580 0.71 SLC6A4 (0.51) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7206560 0.71 SLC6A4 (0.49) SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL7206526 0.70 SLC6A4 (0.63) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7062688 0.70 SLC6A4 (0.64) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7160253 0.70 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3TBXA2R
SCHEMBL6153080 0.70 SLC6A4 (0.53) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6152021 0.69 SLC6A4 (0.67) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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 5/4885HTR2A 18/4885KCNH2 568/4885

“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.