SCHEMBL13068720

SCHEMBL13068720

CC(C)CC(C(C)N)N1CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
CDK4 P11802 1/20 0.41
ALOX15 P16050 1/20 0.41
CCND1 P24385 1/20 0.41
GAA P10253 3/20 0.41
GFER P55789 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
LMNA P02545 4/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL3407704 0.91 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL11852260 0.79 GAA (0.47) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL3376076 0.78 DRD4 (0.45) SLC6A2ALDH1A1MEN1KMT2AGAA
SCHEMBL1102007 0.75 ALDH1A1 (0.48) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL11729757 0.74 SLC6A2 (0.46) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL20957018 0.74 SLC6A2 (0.46) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL3372688 0.74 SLC6A2 (0.46) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL3371630 0.74 NOTUM (0.49) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL3374087 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AALOX15GAA
Hydrochloric Acid SCHEMBL31467512 0.73 SLC6A2 (0.47) SLC6A2SLC6A4ALDH1A1MEN1KMT2A

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 13 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

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 1525/4885SLC6A4 2167/4885ALDH1A1 2986/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH SLC6A2 1525/4885SLC6A4 2167/4885ALDH1A1 2986/4885

“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.