SCHEMBL5029704

SCHEMBL5029704

Clc1ccc([C@@H]2CCCc3ccccc32)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.57
SLC6A4 P31645 13/20 0.57
SLC6A3 Q01959 13/20 0.57
GID4 Q8IVV7 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
MLNR O43193 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
ESR1 P03372 1/20 0.54
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
ABCB1 P08183 1/20 0.54
ADRB1 P08588 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
CHRM5 P08912 1/20 0.54
ADRA2A P08913 1/20 0.54

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
SCHEMBL29757864 1.00 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3GID4MEN1
SCHEMBL4732235 1.00 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3GID4MEN1
SCHEMBL8238524 1.00 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3GID4MEN1
Hydrochloric Acid SCHEMBL5955564 0.98 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3GID4MEN1
SCHEMBL5709376 0.90 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL6941770 0.87 GID4 (0.56) SLC6A2SLC6A4SLC6A3GID4CYP3A4
SCHEMBL20468142 0.87 GID4 (0.56) SLC6A2SLC6A4SLC6A3GID4CYP3A4
SCHEMBL20162486 0.83 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL20863599 0.82 HAO1 (0.53) SLC6A2SLC6A4SLC6A3GID4ADRA2A
SCHEMBL22319970 0.79 GID4 (0.61) SLC6A2SLC6A4SLC6A3GID4MEN1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3800178-A1 PREPARATION OF ENAMIDE INTERMEDIATE FOR THE SYNTHESIS OF DASOTRALINE Moehs Ibérica, S.L. (ES) 2021-04-07 EP disclosed
EP-2455075-B1 Process for Preparation of trans 4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine SUNOVION PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed
EP-1904066-B1 COMBINATIONS OF ESZOPICLONE AND TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-N-METHYL-1-NAPTHALENAMINE OR TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPTHALENAMINE, for treating MENOPAUSE, perimenopause AND COGNITIVE DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2018-05-23 EP disclosed
US-9907764-B2 Treatment of CNS disorders with trans 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine SUNOVION PHARMACEUTICALS INC. (US) 2018-03-06 US disclosed
EP-2816024-B1 Chiral amines SUNOVION PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20170157067-A1 TREATMENT OF CNS DISORDERS WITH trans 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE SUNOVION PHARMACEUTICALS INC. (US) 2017-06-08 US disclosed
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
EP-1542961-B1 TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPTHALENAMINE FOR USE IN TREATMENT OF CNS DISORDERS SEPRACOR INC (US) 2013-09-11 EP disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-7408082-B1 Racemisation process NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2008-08-05 US 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-2007081542-A2 TETRALONE-BASED MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 WO disclosed
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO 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
WO-2007006003-A2 COMBINATIONS OF ESZOPICLONE AND TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-N-METHYL-1-NAPTHALENAMINE OR TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPTHALENAMINE, AND METHODS OF TREATMENT OF MENOPAUSE AND MOOD, ANXIETY, AND COGNITIVE DISORDERS SEPRACOR INC. (US) 2007-01-11 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 (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-20170157067-A1 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-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A2 3501/4885SLC6A4 4537/4885SLC6A3 4289/4885

“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.