Sertraline

Sertraline

SCHEMBL7922153

CNC1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21

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 1.00
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
CYP3A4 P08684 5/20 1.00
SLC6A2 P23975 5/20 1.00
SLC6A3 Q01959 5/20 1.00
CYP1A2 P05177 3/20 1.00
CYP2C19 P33261 3/20 1.00
NPC1 O15118 2/20 1.00
CYP2D6 P10635 2/20 1.00
MTOR P42345 2/20 1.00
RAB9A P51151 2/20 1.00
MLNR O43193 1/20 1.00
NR1I2 O75469 1/20 1.00
ABCB11 O95342 1/20 1.00
ESR1 P03372 1/20 1.00
CHRM2 P08172 1/20 1.00
CHRM4 P08173 1/20 1.00
ABCB1 P08183 1/20 1.00
ADRB1 P08588 1/20 1.00

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 SCHEMBL29690831 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL3841967 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL29374222 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL14028076 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL3885286 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL3947169 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL30244837 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL3856872 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL137619 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL137618 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061728-A Use of 4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine derivatives in the treatment of inflammation and as immunosuppressants PFIZER INC. (US) 1991-10-29 US claimed
EP-0386997-A2 Use of 4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine derivatives in the treatment of psychosis, inflammation, and as immunosuppressants PFIZER INC. (US) 1990-09-12 EP claimed
US-11559508-B2 Pharmaceutical compositions comprising POH derivatives and methods of use Neonc Technologies, Inc. (US) 2023-01-24 US disclosed
US-20200237697-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA 2020-07-30 US disclosed
US-6232500-B1 REACTING 4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-1(2H)-NAPTHALENONE WITH MONOMETHYLAMINE IN ALCOHOL SOLVENT HAVING SPECIFIED BOILING POINT, UNDER REACTION CONDITIONS, AND IN WHICH MONOMETHYLAMINE IS SOLUBLE PFIZER INC 2001-05-15 US disclosed
US-5061728-A Use of 4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine derivatives in the treatment of inflammation and as immunosuppressants PFIZER INC. (US) 1991-10-29 US disclosed
EP-0386997-A2 Use of 4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine derivatives in the treatment of psychosis, inflammation, and as immunosuppressants PFIZER INC. (US) 1990-09-12 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 (2 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-11559508-B2 Pharmaceutical compositions comprising POH derivatives and methods of use ACADVL, CPT1A, ADH5 SLC6A4 2829/4885MEN1 1893/4885KMT2A 1939/4885
US-20200237697-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES AND METHODS OF USE ACADVL, CPT1A, ADH5 SLC6A4 2829/4885MEN1 1893/4885KMT2A 1939/4885

“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.