SCHEMBL3374829

SCHEMBL3374829

CC(N)C(Cc1ccc(Cl)cc1)c1cncnc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
CYP19A1 P11511 5/20 0.46
SLC6A4 P31645 1/20 0.46
ADRB2 P07550 1/20 0.39
CYP2D6 P10635 2/20 0.36
CNR1 P21554 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR2 P34972 3/20 0.34
FDFT1 P37268 1/20 0.34

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
SCHEMBL13113844 0.85 SLC6A2 (0.49) SLC6A2SLC6A3CYP19A1SLC6A4ADRB2
Hydrochloric Acid SCHEMBL3373159 0.84 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4ADRB2CYP2D6
SCHEMBL3374881 0.84 CYP19A1 (0.50) SLC6A2SLC6A3CYP19A1SLC6A4CNR1
SCHEMBL4691720 0.83 SLC6A3 (0.62) SLC6A2SLC6A3SLC6A4ADRB2CYP2D6
SCHEMBL13113802 0.83 SLC6A2 (0.53) SLC6A2SLC6A3CYP19A1SLC6A4ADRB2
SCHEMBL13068412 0.82 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4ADRB2CYP2D6
Hydrochloric Acid SCHEMBL3371509 0.82 SLC6A2 (0.60) SLC6A2SLC6A3SLC6A4ADRB2CYP2D6
SCHEMBL13113834 0.81 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4CNR2
SCHEMBL13113848 0.81 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4ADRB2CNR1
Hydrochloric Acid SCHEMBL3371599 0.81 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4ADRB2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20070088058-A1 3-(1(S)(4-chlorobenzyl)-2(S)-((2-hydroxy-2-methyl-1-phenylpropyl)amino)propyl)-benzonitrile; obesity; potentiation; antagonists MERCK SHARP & DOHME CORP. 2007-04-19 US disclosed
CN-1871208-A Arylalkyl amines as cannabinoid receptor modulators MERCK & CO INC (US) 2006-11-29 CN disclosed
EP-1663113-A2 SUBSTITUTED SULFONAMIDES Merck & Co., Inc. (US) 2006-06-07 EP disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
US-20050203112-A1 Bicyclic amides MERCK SHARP & DOHME CORP. 2005-09-15 US disclosed
US-20050154202-A1 Substituted aryl amides MERCK & CO., INC. 2005-07-14 US disclosed
WO-2005027837-A2 SUBSTITUTED SULFONAMIDES MERCK & CO., INC. (US) 2005-03-31 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 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 (8 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-20050154202-A1 Substituted aryl amides CNR1, CNR2, FAAH SLC6A2 1641/4885SLC6A3 2109/4885CYP19A1 1009/4885
US-20050203112-A1 Bicyclic amides CNR1, CNR2, FAAH SLC6A2 1786/4885SLC6A3 2824/4885CYP19A1 1296/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG SLC6A2 1371/4885SLC6A3 2064/4885CYP19A1 2011/4885
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators CNR1, CNR2, MAG SLC6A2 2117/4885SLC6A3 2989/4885CYP19A1 1414/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH SLC6A2 1525/4885SLC6A3 2303/4885CYP19A1 1207/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH SLC6A2 1390/4885SLC6A3 2186/4885CYP19A1 1290/4885
US-20070088058-A1 3-(1(S)(4-chlorobenzyl)-2(S)-((2-hydroxy-2-methyl-1-phenylpropyl)amino)propyl)-benzonitrile; obesity; potentiation; antagonists CNR2, CNR1, CHRNA4 SLC6A2 1002/4885SLC6A3 1693/4885CYP19A1 3164/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH SLC6A2 1525/4885SLC6A3 2303/4885CYP19A1 1207/4885

“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.