SCHEMBL3519625

SCHEMBL3519625

CCCCOC(=O)NCC(O)(Cc1ccc(Cl)cc1)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
FAAH O00519 2/20 0.39
EPHX2 P34913 3/20 0.38
HPGD P15428 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
THRB P10828 1/20 0.38
HSP90AA1 P07900 1/20 0.37
LMNA P02545 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3525482 0.81 CNR1 (0.44) CNR1SMN1; SMN2FAAHEPHX2HPGD
SCHEMBL3519146 0.78 CNR1 (0.49) CNR1SMN1; SMN2FAAHHPGDRAB9A
SCHEMBL13500866 0.72 CYP1A2 (0.40) CNR1CYP1A2CYP2C9CYP2C19THRB
SCHEMBL8225124 0.72 EPHX2 (0.47) SMN1; SMN2FAAHEPHX2HPGDRAB9A
SCHEMBL8197902 0.71 CYP1A2 (0.51) SMN1; SMN2FAAHEPHX2HPGDRAB9A
Hydrochloric Acid SCHEMBL3517240 0.71 CYP1A2 (0.39) CNR1CYP1A2CYP2C9CYP2C19THRB
SCHEMBL2094718 0.71 ALDH1A1 (0.61) SMN1; SMN2FAAHHPGDCYP2C9CYP2C19
SCHEMBL1380301 0.70 CNR1 (0.83) CNR1CYP2C9
SCHEMBL4439904 0.70 RAB9A (0.41) SMN1; SMN2HPGDRAB9ANPC1CYP1A2
SCHEMBL5263204 0.69 NPC1 (0.50) CNR1RAB9ANPC1CYP1A2CYP2C19

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 25 patents — showing the first 20. 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-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-20090137529-A1 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-05-28 US disclosed
EP-1575901-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2009-03-18 EP disclosed
EP-2019593-A1 PRO-DRUGS OF TERTIARY ALCOHOLS Merck & Co., Inc. (US) 2009-02-04 EP 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-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
WO-2007136571-A1 PRO-DRUGS OF TERTIARY ALCOHOLS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 EP 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
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 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-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO 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

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-20050154202-A1 Substituted aryl amides CNR1, CNR2, FAAH CNR1 1/4885SMN1; SMN2 708/4885FAAH 3/4885
US-20050203112-A1 Bicyclic amides CNR1, CNR2, FAAH CNR1 1/4885SMN1; SMN2 826/4885FAAH 3/4885
US-20080194645-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885SMN1; SMN2 608/4885FAAH 3/4885
US-20090137529-A1 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, CHRNA10 CNR1 1/4885SMN1; SMN2 1138/4885FAAH 6/4885

“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.