Sertraline

Sertraline

SCHEMBL5144860

CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A4

The experimentally established mechanism targets of Sertraline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 14/20 0.71
SLC6A2 P23975 14/20 0.71
SLC6A3 Q01959 13/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
CYP3A4 P08684 4/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2C19 P33261 2/20 0.71
NPC1 O15118 1/20 0.71
MLNR O43193 1/20 0.71
NR1I2 O75469 1/20 0.71
ABCB11 O95342 1/20 0.71
ESR1 P03372 1/20 0.71
CHRM2 P08172 1/20 0.71
CHRM4 P08173 1/20 0.71
ABCB1 P08183 1/20 0.71
ADRB1 P08588 1/20 0.71
HTR1A P08908 1/20 0.71
CHRM5 P08912 1/20 0.71
ADRA2A P08913 1/20 0.71

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
Sertraline SCHEMBL5143394 0.93 SLC6A4 (0.76) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Sertraline SCHEMBL5142785 0.89 SLC6A2 (0.85) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Sertraline SCHEMBL5142911 0.89 SLC6A2 (0.85) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Sertraline SCHEMBL5145138 0.86 SLC6A2 (0.79) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Sertraline SCHEMBL5431028 0.84 SLC6A4 (0.74) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Sertraline SCHEMBL3856872 0.84 MEN1 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Sertraline SCHEMBL137619 0.84 MEN1 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Sertraline SCHEMBL3947169 0.84 MEN1 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Sertraline SCHEMBL14028076 0.84 MEN1 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Sertraline SCHEMBL3885286 0.84 MEN1 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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
EP-1626950-A4 SERTRALINE COMPOSITIONS TRANSFORM PHARMACEUTICALS INC (US) 2007-05-23 EP claimed
EP-1626950-A1 SERTRALINE COMPOSITIONS Transform Pharmaceuticals, Inc. (US) 2006-02-22 EP claimed
WO-2005000786-A1 SERTRALINE COMPOSITIONS TRANSFORM PHARMACEUTICALS, INC. (US) 2005-01-06 WO claimed
US-7094930-B2 Pharmaceutically acceptable salts of sertraline and pharmaceutical compositions thereof PFIZER INC (US) 2006-08-22 US disclosed
US-20040198818-A1 Pharmaceutically acceptable salts of sertraline and pharmaceutical compositions thereof PFIZER INC 2004-10-07 US disclosed
WO-2004065348-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF SERTRALINE AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2004-08-05 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-20040198818-A1 Pharmaceutically acceptable salts of sertraline and pharmaceutical compositions thereof SLC6A4, SUCNR1, SLC6A11 SLC6A4 1/4885SLC6A2 8/4885SLC6A3 13/4885

“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.