SCHEMBL7213362

SCHEMBL7213362

CN(Cc1cc(C(=O)O)ccc1Oc1ccc2c(c1)CCS2)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.51
SLC6A2 P23975 3/20 0.38
MCHR1 Q99705 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
ALOX5 P09917 1/20 0.33
HTR2C P28335 2/20 0.33
LTA4H P09960 1/20 0.32
RYR2 Q92736 3/20 0.32
AHCY P23526 1/20 0.32
TTR P02766 1/20 0.31

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
SCHEMBL7167756 0.91 SLC6A4 (0.52) SLC6A4SLC6A2MCHR1HTR2CRYR2
SCHEMBL7213331 0.81 SLC6A4 (0.54) SLC6A4SLC6A2MEN1KMT2AATM
SCHEMBL6152065 0.77 SLC6A4 (0.47) SLC6A4SLC6A2MEN1KMT2AATM
SCHEMBL6151977 0.76 SLC6A4 (0.40) SLC6A4SLC6A2MEN1KMT2ATTR
SCHEMBL15862233 0.75 HTR2C (0.41) SLC6A4MCHR1MEN1KMT2AATM
SCHEMBL6152060 0.74 SLC6A4 (0.40) SLC6A4SLC6A2MEN1KMT2AATM
SCHEMBL27811149 0.74 HTR2C (0.39) SLC6A4MCHR1MEN1KMT2AHTR2C
SCHEMBL25569841 0.71 SLC6A4 (0.33) SLC6A4MCHR1MEN1KMT2A
SCHEMBL7130346 0.71 SLC6A4 (0.52) SLC6A4SLC6A2
SCHEMBL7207167 0.69 SLC6A4 (0.69) SLC6A4SLC6A2

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 5/4885SLC6A2 9/4885MCHR1 92/4885

“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.