SCHEMBL13068613

SCHEMBL13068613

CC(N)C(Cc1ccc(Cl)cc1)n1cncn1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP19A1 P11511 9/20 0.53
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
SLC6A4 P31645 1/20 0.42
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 1/20 0.39
MC4R P32245 1/20 0.38
MC3R P41968 1/20 0.38
MC1R Q01726 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL14234002 0.83 MEN1 (0.74) MEN1KMT2ACYP19A1SLC6A2SLC6A3
SCHEMBL3678556 0.80 MEN1 (1.00) MEN1KMT2ACYP19A1TDP1POLB
SCHEMBL22609989 0.80 MEN1 (1.00) MEN1KMT2ACYP19A1TDP1POLB
SCHEMBL68549 0.80 MEN1 (1.00) MEN1KMT2ACYP19A1TDP1POLB
SCHEMBL912888 0.80 MEN1 (1.00) MEN1KMT2ACYP19A1TDP1POLB
SCHEMBL36911 0.80 MEN1 (1.00) MEN1KMT2ACYP19A1TDP1POLB
SCHEMBL8566021 0.80 MEN1 (1.00) MEN1KMT2ACYP19A1TDP1POLB
SCHEMBL10685427 0.79 MEN1 (0.80) MEN1KMT2ACYP19A1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL23094017 0.79 MEN1 (0.97) MEN1KMT2ACYP19A1TDP1POLB
SCHEMBL9303883 0.79 MEN1 (0.97) MEN1KMT2ACYP19A1TDP1POLB

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 14 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-1871208-A Arylalkyl amines as cannabinoid receptor modulators MERCK & CO INC (US) 2006-11-29 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 MEN1 218/4885KMT2A 2292/4885CYP19A1 1207/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH MEN1 218/4885KMT2A 2292/4885CYP19A1 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.