SCHEMBL3522572

SCHEMBL3522572

CC(N)C(C)(Cc1ccc(Cl)cc1)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
SLC6A4 P31645 2/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
CHRNA4 P43681 1/20 0.45
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
PMP22 Q01453 1/20 0.39
NLRP3 Q96P20 1/20 0.39
EGFR P00533 2/20 0.37
FLT1 P17948 2/20 0.37
KDR P35968 2/20 0.37

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 SCHEMBL3521159 0.99 CNR1 (0.47) CNR1SLC6A2SLC6A3SLC6A4HTR2A
SCHEMBL3521154 0.88 CNR1 (0.51) CNR1SLC6A2SLC6A3SLC6A4HTR2A
SCHEMBL13500869 0.83 CNR1 (0.45) CNR1SLC6A2SLC6A3SLC6A4HTR2A
Hydrochloric Acid SCHEMBL3523411 0.82 CNR1 (0.44) CNR1SLC6A2SLC6A3SLC6A4HTR2A
Hydrochloric Acid SCHEMBL5166456 0.82 LMNA (0.40) CNR1SLC6A2SLC6A3SLC6A4HTR2A
SCHEMBL27643177 0.80 CNR1 (0.46) CNR1SLC6A2SLC6A3SLC6A4HTR2A
SCHEMBL3523525 0.76 CNR1 (0.59) CNR1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL13500866 0.73 CYP1A2 (0.40) CNR1SLC6A2SLC6A3SLC6A4HTR2A
SCHEMBL3522511 0.73 CNR1 (0.45) CNR1SLC6A2SLC6A3SLC6A4HTR2A
Hydrochloric Acid SCHEMBL3517240 0.72 CYP1A2 (0.39) CNR1SLC6A2SLC6A3SLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP 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-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 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-20080194645-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
US-20080194645-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
US-20080194645-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20060106071-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885SLC6A2 1525/4885SLC6A3 2303/4885
US-20050154202-A1 Substituted aryl amides CNR1, CNR2, FAAH CNR1 1/4885SLC6A2 1641/4885SLC6A3 2109/4885
US-20050203112-A1 Bicyclic amides CNR1, CNR2, FAAH CNR1 1/4885SLC6A2 1786/4885SLC6A3 2824/4885
US-20080194645-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885SLC6A2 1525/4885SLC6A3 2303/4885

“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.