SCHEMBL3373228

SCHEMBL3373228

CC(=O)C(Cc1ccc(Cl)cc1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
LMNA P02545 3/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
OPRK1 P41145 2/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MITF O75030 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MME P08473 1/20 0.44
CHRM2 P08172 3/20 0.43
ADRA2B P18089 3/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43

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
SCHEMBL1127590 0.87 KMT2A (0.46) KMT2ALMNABLMPMP22NPSR1
SCHEMBL1127707 0.84 KMT2A (0.52) KMT2ALMNABLMPMP22NPSR1
SCHEMBL3371893 0.82 FFAR2 (0.42) KMT2ALMNACYP1A2GAASMN1; SMN2
SCHEMBL1127390 0.80 KMT2A (0.48) KMT2ALMNABLMPMP22NPSR1
SCHEMBL3371208 0.77 ESR1 (0.60) CYP2C19CYP2C9CYP1A2CHRM1CYP2D6
SCHEMBL1127361 0.75 CYP1A2 (0.53) NPSR1CYP2C19CYP1A2SMN1; SMN2CYP2D6
SCHEMBL2305656 0.75 S1PR1 (0.55) LMNABLMPMP22NPSR1CYP2C19
SCHEMBL5145088 0.75 ESR1 (0.45) KMT2ALMNABLMCYP2C19CYP2C9
SCHEMBL2854300 0.74 EPHX1 (0.46) KMT2ACYP2C19CYP1A2KDM4ECYP3A4
SCHEMBL1127394 0.74 MME (0.39) KMT2ALMNABLMPMP22NPSR1

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
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-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-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-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
US-7390835-B2 Aralkyl amines as cannabinoid receptor modulators MERCK & CO., INC. (US) 2008-06-24 US disclosed
EP-1663113-A4 SUBSTITUTED SULFONAMIDES MERCK & CO INC (US) 2007-06-13 EP disclosed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 EP disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO 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 (3 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 KMT2A 2292/4885LMNA 1615/4885BLM 4346/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG KMT2A 3170/4885LMNA 1882/4885BLM 4296/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH KMT2A 2292/4885LMNA 1615/4885BLM 4346/4885

“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.