SCHEMBL5574872

SCHEMBL5574872

FC(F)(F)c1ccc(OC(CCCl)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.74
SLC6A2 P23975 4/20 0.74
SLC6A3 Q01959 4/20 0.74
KCNK2 O95069 2/20 0.74
KCNH2 Q12809 2/20 0.74
CACNA1C Q13936 2/20 0.74
SLC7A5 Q01650 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
LMNA P02545 4/20 0.68
HRH3 Q9Y5N1 2/20 0.68
NPC1 O15118 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C19 P33261 2/20 0.68
MTOR P42345 2/20 0.68
RAB9A P51151 2/20 0.68
CYP3A4 P08684 2/20 0.68
HTR2C P28335 2/20 0.68
KDM4E B2RXH2 1/20 0.68
TP53 P04637 1/20 0.68

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
SCHEMBL5577138 1.00 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL2690834 1.00 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL6013735 0.96 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL6005053 0.87 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5160113 0.86 SLC7A5 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5160122 0.86 SLC7A5 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL6006305 0.85 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL6004122 0.85 SLC6A9 (0.56) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Seproxetine SCHEMBL272873 0.85 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7056582 0.85 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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
WO-2024084517-A1 3-PHENYL-3-(ARYLOXY) PROPAN-1-AMINES AND THE PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-04-25 WO disclosed
US-8168635-B2 2-(aminomethyl)-5-phenyltetrahydrofuran; 4-(3,4-Dimethoxyphenyl)-2-[5-(2-{5-[2-(5-fluoro-2-methoxyphenyl)-ethyl]-tetrahydrofuran-2-yl}-ethylamino)-pentyl]-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; dual inhibitor of serotonin reuptake and phosphodiesterase 4 (PDE4) enzyme activity HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-20080261967-A1 Modulators of Central Nervous System Neurotransmitters HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2008-10-23 US disclosed
US-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. 2006-12-21 US disclosed
EP-1014966-B1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2006-08-02 EP disclosed
US-7019024-B2 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. (US) 2006-03-28 US disclosed
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders NPS PHARMACEUTICALS, INC. 2001-08-09 US disclosed
US-6191165-B1 ANTIDEPRESSANTS; SCHIZOPHRENIA; ALZHEIMER'S DISEASE; ANTIEPILEPTIC AGENTS ALLELIX NEUROSCIENCE INC. 2001-02-20 US disclosed
US-5929247-A METHODS OF SYNTHESIZING 1,2,5-THIADIAZOLE COMPOUNDS SUCH AS 3-PROPYLTHIO-4-HYDROXY-1,2,5-THIADIAZOLE, USEFUL IN TREATING DISEASES IN THE CENTRAL NERVOUS SYSTEM CAUSED BY MUSCARINIC CHOLINERGIC SYSTEM MALFUNCTIONING ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed
US-5852037-A Method for treating anxiety ELI LILLY AND COMPANY (US) 1998-12-22 US disclosed
US-5821370-A MUSCARINIC CHOLINERGIC DRUGS ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5821371-A 1,2,5-THIADIAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF THE MUSCARINIC CHOLINERGIC SYSTEM; COGNITION ACTIVATORS; ALZHEIMER'S DISEASE ELI LILLY AND COMANY (US) 1998-10-13 US disclosed
US-5672709-A INTERMEDIATES FOR DRUGS USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-09-30 US disclosed
US-5665745-A 1,2,5-THIADIAZOLE DERIVATIVES FOR TREATING DISEASES OF CENTRAL NERVOUS SYSTEM ELI LILLY AND COMPANY (US) 1997-09-09 US disclosed
US-5646289-A REACTING A 3-CHLORO-1,2,5-THIADIAZOLE WITH ALKALI METAL BIS(TRIALKYL OR ARYLSILYL)AMIDE; DECHLORINATION; TREATING NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-07-08 US disclosed
WO-1997017962-A1 METHOD FOR TREATING ANXIETY ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed
EP-0774256-A1 Use of azacyclic or azabicyclic thiadiazole compounds for treating anxiety ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed
EP-0709381-A1 Heterocyclic compounds and their preparation and use ELI LILLY AND COMPANY (US) 1996-05-01 EP disclosed
US-4313896-A ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1982-02-02 US 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 (3 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-20080261967-A1 Modulators of Central Nervous System Neurotransmitters GAP43, SLC18A2, CHRNA6 SLC6A4 104/4885SLC6A2 47/4885SLC6A3 54/4885
US-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC18A2, SLC6A1, SLC6A11 SLC6A4 9/4885SLC6A2 4/4885SLC6A3 8/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 SLC6A4 14/4885SLC6A2 5/4885SLC6A3 9/4885

“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.