Sugi Predict

Sugi Predict / Compounds / Sertraline

Sertraline

Sertraline

SCHEMBL398732

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

nearest known ligand 0.79

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 0.79
▸ SLC6A2 P23975 13/20 0.79
▸ SLC6A3 Q01959 13/20 0.79
▸ CYP3A4 P08684 5/20 0.79
▸ MEN1 O00255 4/20 0.79
▸ KMT2A Q03164 4/20 0.79
▸ CYP1A2 P05177 3/20 0.79
▸ CYP2C19 P33261 3/20 0.79
▸ NPC1 O15118 2/20 0.79
▸ CYP2D6 P10635 2/20 0.79
▸ MTOR P42345 2/20 0.79
▸ RAB9A P51151 2/20 0.79
▸ MLNR O43193 1/20 0.79
▸ NR1I2 O75469 1/20 0.79
▸ ABCB11 O95342 1/20 0.79
▸ ESR1 P03372 1/20 0.79
▸ CHRM2 P08172 1/20 0.79
▸ CHRM4 P08173 1/20 0.79
▸ ABCB1 P08183 1/20 0.79
▸ ADRB1 P08588 1/20 0.79

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 SCHEMBL398733 1.00 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3CYP3A4MEN1
Sertraline SCHEMBL5143430 1.00 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3CYP3A4MEN1
Sertraline SCHEMBL29248769 0.93 SLC6A4 (0.87) SLC6A4SLC6A2SLC6A3CYP3A4MEN1
Sertraline SCHEMBL3022459 0.92 SLC6A4 (0.85) SLC6A4SLC6A2SLC6A3CYP3A4MEN1
Sertraline SCHEMBL1206649 0.92 SLC6A4 (0.85) SLC6A4SLC6A2SLC6A3CYP3A4MEN1
Sertraline SCHEMBL7246621 0.91 SLC6A4 (0.83) SLC6A4SLC6A2SLC6A3CYP3A4MEN1
Sertraline SCHEMBL5391116 0.91 MEN1 (0.85) SLC6A4SLC6A2SLC6A3CYP3A4MEN1
Sertraline SCHEMBL5144859 0.89 SLC6A4 (0.81) SLC6A4SLC6A2SLC6A3CYP3A4MEN1
Sertraline SCHEMBL3885286 0.89 MEN1 (1.00) SLC6A4SLC6A2SLC6A3CYP3A4MEN1
Sertraline SCHEMBL7922153 0.89 MEN1 (1.00) SLC6A4SLC6A2SLC6A3CYP3A4MEN1

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 19 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
US-20050014829-A1 Sertraline compositions TRANSFORM PHARMACEUTICALS, INC. 2005-01-20 — — US claimed
WO-2005000786-A1 SERTRALINE COMPOSITIONS TRANSFORM PHARMACEUTICALS, INC. (US) 2005-01-06 — — WO claimed
CN-111148746-B Heterocyclic compounds 武田药品工业株式会社 2022-08-05 — — CN disclosed
CN-114181136-A Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2022-03-15 — — CN disclosed
CN-108884043-B Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2021-11-26 — — CN disclosed
CN-108026088-B Oxadiazole derivatives as HDAC inhibitors 武田药品工业株式会社 2021-02-12 — — CN disclosed
CN-110709401-A Heterocyclic compounds 武田药品工业株式会社 2020-01-17 — — CN disclosed
US-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-20110251175-A1 Stigmine Conjugates for Substance Use Disorders COLUCID PHARMACEUTICALS, INC. 2011-10-13 — — US disclosed
CN-101795683-A Method for promoting vigilance COLUCID PHARMACEUTICALS INC 2010-08-04 — — CN disclosed
US-20090048229-A1 Methods for promoting wakefulness COLUCID PHARMACEUTICALS, INC. 2009-02-19 — — US disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 — — US disclosed
EP-1626950-A4 SERTRALINE COMPOSITIONS TRANSFORM PHARMACEUTICALS INC (US) 2007-05-23 — — EP disclosed
US-7186863-B2 Sertraline compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-03-06 — — US disclosed
EP-1626950-A1 SERTRALINE COMPOSITIONS Transform Pharmaceuticals, Inc. (US) 2006-02-22 — — EP disclosed
US-20050014829-A1 Sertraline compositions TRANSFORM PHARMACEUTICALS, INC. 2005-01-20 — — US disclosed
WO-2005000786-A1 SERTRALINE COMPOSITIONS TRANSFORM PHARMACEUTICALS, INC. (US) 2005-01-06 — — 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 (4 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-20050014829-A1 Sertraline compositions SUCNR1, TST, SORD SLC6A4 66/4885SLC6A2 166/4885SLC6A3 313/4885
US-20110251175-A1 Stigmine Conjugates for Substance Use Disorders TACR2, NPSR1, TACR3 SLC6A4 57/4885SLC6A2 33/4885SLC6A3 34/4885
US-20090048229-A1 Methods for promoting wakefulness HCRTR2, HCRTR1, CHAT SLC6A4 157/4885SLC6A2 52/4885SLC6A3 112/4885
US-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT SLC6A4 1102/4885SLC6A2 289/4885SLC6A3 874/4885

“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.