SCHEMBL13068412

SCHEMBL13068412

Cc1cncc(C(Cc2ccc(Cl)cc2)C(C)N)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SLC6A4 P31645 1/20 0.41
AKT1 P31749 1/20 0.35
ADRB2 P07550 1/20 0.35
CYP3A4 P08684 1/20 0.34
MC4R P32245 1/20 0.34
PNMT P11086 2/20 0.33
KCNH2 Q12809 1/20 0.33
CNR1 P21554 3/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CNR2 P34972 1/20 0.32

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
Hydrochloric Acid SCHEMBL3371599 0.99 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4AKT1ADRB2
SCHEMBL13113844 0.89 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4AKT1ADRB2
Hydrochloric Acid SCHEMBL3373159 0.87 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4AKT1ADRB2
SCHEMBL13068405 0.86 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4AKT1CYP3A4
SCHEMBL13113834 0.85 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4S1PR1S1PR3
SCHEMBL13113848 0.85 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4AKT1ADRB2
Hydrochloric Acid SCHEMBL3371120 0.84 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4S1PR1S1PR3
Hydrochloric Acid SCHEMBL3376122 0.84 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4AKT1ADRB2
SCHEMBL3374829 0.82 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4ADRB2CYP3A4
SCHEMBL13113837 0.82 CNR1 (0.47) CNR1CNR2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 US disclosed
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
CN-1956949-A Substituted sulfonamides MERCK & CO INC (US) 2007-05-02 CN disclosed
CN-1639112-A Substituted amides having cannabinoid-1 receptor activity MERCK & CO INC (US) 2005-07-13 CN 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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH SLC6A2 1525/4885SLC6A3 2303/4885SLC6A4 2167/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH SLC6A2 1525/4885SLC6A3 2303/4885SLC6A4 2167/4885

“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.