SCHEMBL6944959

SCHEMBL6944959

CN(C)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.76
SLC6A4 P31645 5/20 0.76
SLC6A3 Q01959 5/20 0.76
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 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
CYP3A4 P08684 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
SCHEMBL11133286 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL11133547 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8253409 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9843400 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL10995616 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8242450 0.90 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL18888711 0.89 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3365835 0.87 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7932101 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL7932104 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813543-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP claimed
EP-0386997-B1 Use of 4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine derivatives in the treatment of psychosis, inflammation, and as immunosuppressants PFIZER (US) 1997-03-19 EP claimed
WO-1996028464-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO claimed
EP-0030081-B1 ANTIDEPRESSANT DERIVATIVES OF CIS-4-PHENYL-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1983-03-02 EP claimed
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
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
WO-2011131693-A2 COMPOSITIONS AND METHODS FOR SELECTIVE DELIVERY OF OLIGONUCLEOTIDE MOLECULES TO SPECIFIC NEURON TYPES NLIFE THERAPEUTICS, S.L. (ES) 2011-10-27 WO disclosed
EP-2380595-A1 Compositions and methods for selective delivery of oligonucleotide molecules to specific neuron types Nlife Therapeutics S.L. (ES) 2011-10-26 EP disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-7786119-B2 Drug conjugates of ion channel modulating compounds CARDIOME PHARMA CORP. (CA) 2010-08-31 US disclosed
US-20080287406-A1 Compositions and methods for treating medical conditions ZALICUS INC. 2008-11-20 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
EP-0386997-B1 Use of 4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine derivatives in the treatment of psychosis, inflammation, and as immunosuppressants PFIZER (US) 1997-03-19 EP disclosed
US-4981870-A Use of 4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine derivatives in the treatment of psychosis, inflammation and as immunosuppressants PFIZER INC. (US) 1991-01-01 US disclosed
EP-0030081-B1 ANTIDEPRESSANT DERIVATIVES OF CIS-4-PHENYL-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1983-03-02 EP disclosed
EP-0030081-A1 Antidepressant derivatives of cis-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine and pharmaceutical compositions thereof PFIZER INC. (US) 1981-06-10 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 (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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A2 3501/4885SLC6A4 4537/4885SLC6A3 4289/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A2 3501/4885SLC6A4 4537/4885SLC6A3 4289/4885
US-20080287406-A1 Compositions and methods for treating medical conditions S100B, S100P, S100A6 SLC6A2 1042/4885SLC6A4 761/4885SLC6A3 3786/4885

“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.