Desmethylsertraline

Desmethylsertraline

SCHEMBL4781834

N[C@@H]1CC[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

SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Desmethylsertraline. 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
SLC6A2 known ✓ P23975 7/20 1.00
SLC6A4 known ✓ P31645 7/20 1.00
SLC6A3 known ✓ Q01959 7/20 1.00
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
CYP3A4 P08684 3/20 0.62
NPC1 O15118 1/20 0.62
MLNR O43193 1/20 0.62
NR1I2 O75469 1/20 0.62
ABCB11 O95342 1/20 0.62
ESR1 P03372 1/20 0.62
CYP1A2 P05177 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM4 P08173 1/20 0.62
ABCB1 P08183 1/20 0.62
ADRB1 P08588 1/20 0.62
HTR1A P08908 1/20 0.62
CHRM5 P08912 1/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62

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
Desmethylsertraline SCHEMBL29737233 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Desmethylsertraline SCHEMBL29481074 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Dasotraline SCHEMBL29690290 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Desmethylsertraline SCHEMBL263132 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Desmethylsertraline SCHEMBL9611184 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Dasotraline SCHEMBL263142 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Desmethylsertraline SCHEMBL260449 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Desmethylsertraline SCHEMBL4570539 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Desmethylsertraline SCHEMBL259292 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Desmethylsertraline SCHEMBL29757858 1.00 SLC6A2 (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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240026357-A1 MODIFIED MIR-135, CONJUGATED FORM THEREOF, AND USES OF SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-01-25 US disclosed
US-20240026357-A1 MODIFIED MIR-135, CONJUGATED FORM THEREOF, AND USES OF SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-01-25 US disclosed
US-10702486-B2 Treatment of CNS disorders with trans 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine SUNOVION PHARMACEUTICALS INC. (US) 2020-07-07 US disclosed
WO-2020025646-A1 AN OMEGA-TRANSAMINASE ENZYME UNIVERSITY COLLEGE CORK - NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2020-02-06 WO disclosed
EP-3604507-A1 AN OMEGA-TRANSAMINASE ENZYME University College Cork-National University of Ireland, Cork (IE) 2020-02-05 EP disclosed
EP-2844643-B1 PYRIMIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-30 EP disclosed
EP-2844643-B1 PYRIMIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-30 EP disclosed
US-20160235856-A1 COMPOSITIONS AND METHODS FOR SELECTIVE DELIVERY OF OLIGONUCLEOTIDE MOLECULES TO SPECIFIC NEURON TYPES PALOMO LIMITED (CY) 2016-08-18 US disclosed
US-20160235856-A1 COMPOSITIONS AND METHODS FOR SELECTIVE DELIVERY OF OLIGONUCLEOTIDE MOLECULES TO SPECIFIC NEURON TYPES PALOMO LIMITED (CY) 2016-08-18 US disclosed
US-9199946-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-01 US disclosed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS CombinatoRx, (Singapore) Pte. Ltd. 2010-04-01 US disclosed
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS CombinatoRx, (Singapore) Pte. Ltd. 2010-04-01 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080287406-A1 Compositions and methods for treating medical conditions ZALICUS INC. 2008-11-20 US disclosed
WO-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 WO disclosed
WO-2008118423-A1 COMPOSITIONS AND METHODS FOR TREATING MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2008-10-02 WO disclosed
WO-2008065177-A1 PROCESSES FOR PREPARING DESMETHYLSERTRALINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CEREP (FR) 2008-06-05 WO disclosed
EP-1904045-A1 USE OF 4-(3,4-DICHLORO-PHENYL)-1,2,3,4-TETRAHYDRO-NAPHTALEN-1-YLAMINE FOR TREATING CANCER Anceris (FR) 2008-04-02 EP disclosed
WO-2007006797-A1 USE OF 4-(3,4-DICHLORO-PHENYL)-1,2,3,4-TETRAHYDRO-NAPHTALEN-1-YLAMINE FOR TREATING CANCER ANCERIS (FR) 2007-01-18 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 (7 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A SLC6A2 71/4885SLC6A4 34/4885SLC6A3 226/4885
US-10702486-B2 Treatment of CNS disorders with trans 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine NLN, TPH1, SLC6A3 SLC6A2 13/4885SLC6A4 10/4885SLC6A3 3/4885
US-20160235856-A1 COMPOSITIONS AND METHODS FOR SELECTIVE DELIVERY OF OLIGONUCLEOTIDE MOLECULES TO SPECIFIC NEURON TYPES SLC6A2, SLC18A2, SLC1A1 SLC6A2 1/4885SLC6A4 8/4885SLC6A3 6/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 SLC6A2 4758/4885SLC6A4 4825/4885SLC6A3 4742/4885
US-20240026357-A1 MODIFIED MIR-135, CONJUGATED FORM THEREOF, AND USES OF SAME METTL16, SYNCRIP, FBL SLC6A2 3147/4885SLC6A4 3126/4885SLC6A3 4037/4885
US-20080287406-A1 Compositions and methods for treating medical conditions S100B, S100P, S100A6 SLC6A2 1042/4885SLC6A4 761/4885SLC6A3 3786/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 SLC6A2 4415/4885SLC6A4 4506/4885SLC6A3 4759/4885

“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.