Sertraline

Sertraline

SCHEMBL6701905

CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 5/20 0.97
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
CYP3A4 P08684 5/20 1.00
TP53 P04637 4/20 1.00
MAPT P10636 3/20 1.00
MAPK1 P28482 3/20 1.00
GMNN O75496 2/20 1.00
LMNA P02545 2/20 1.00
PMP22 Q01453 2/20 1.00
TSHR P16473 2/20 1.00
NFKB1 P19838 2/20 1.00
THPO P40225 2/20 1.00
ALOX15 P16050 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
SLC6A2 P23975 5/20 0.97
SLC6A3 Q01959 5/20 0.97
CYP1A2 P05177 3/20 0.97
CYP2C19 P33261 3/20 0.97
NPC1 O15118 2/20 0.97

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 SCHEMBL5741903 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4TP53MAPT
Sertraline SCHEMBL29406979 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4TP53MAPT
Sertraline SCHEMBL29895228 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4TP53MAPT
Sertraline SCHEMBL23230 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4TP53MAPT
Sertraline SCHEMBL3866334 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4TP53MAPT
Sertraline SCHEMBL7327367 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4TP53MAPT
Sertraline SCHEMBL4963372 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4TP53MAPT
Sertraline SCHEMBL1560715 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4TP53MAPT
Sertraline SCHEMBL33371 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4TP53MAPT
Sertraline SCHEMBL4620487 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087661-A1 Treatment of CNS disorders with trans 4-3(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-napthalenamine SEPRACOR, INC. 2004-05-06 US disclosed
WO-2001049638-A2 A PROCESS FOR CONVERTING STEREOISOMERS OF SERTRALINE INTO SERTRALINE SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2001-07-12 WO disclosed
EP-0595851-B1 PROCESS FOR PREPARING SERTRALINE INTERMEDIATES PFIZER LTD (GB) 1996-01-10 EP disclosed
US-5442116-A Process for preparing sertraline intermediates PFIZER INC. (US) 1995-08-15 US disclosed
WO-1993001161-A1 PROCESS FOR PREPARING SERTRALINE INTERMEDIATES PFIZER LIMITED (GB) 1993-01-21 WO disclosed
US-4556676-A Antidepressant derivatives of trans-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine PFIZER INC. (US) 1985-12-03 US disclosed
EP-0028901-B1 ANTIDEPRESSANT DERIVATIVES OF TRANS-4-PHENYL-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1983-03-02 EP disclosed
EP-0028901-A1 Antidepressant derivatives of trans-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine and pharmaceutical compositions thereof PFIZER INC. (US) 1981-05-20 EP 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-20040087661-A1 Treatment of CNS disorders with trans 4-3(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-napthalenamine PNMT, HNMT, TPMT SLC6A4 7/4885MEN1 207/4885KMT2A 555/4885

“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.