SCHEMBL7207580

SCHEMBL7207580

CSc1ccc(Oc2ccc(CO)cc2CN(C)C(=O)O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.51
HTR2A P28223 5/20 0.48
KCNH2 Q12809 3/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
SOS1 Q07889 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TTR P02766 1/20 0.34

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
SCHEMBL6945836 0.76 SLC6A4 (0.63) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL4019396 0.74 HTR2A (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7062688 0.74 SLC6A4 (0.64) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7461612 0.73 HTR2A (0.73) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7211302 0.72 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL7160253 0.72 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3
SCHEMBL7207979 0.71 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3
SCHEMBL6151948 0.71 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL7212872 0.71 SLC6A4 (0.52) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7211332 0.70 SLC6A4 (0.79) SLC6A4KCNH2SLC6A2SLC6A3

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.