SCHEMBL3525482

SCHEMBL3525482

CCCCOC(=O)N[C@@H](C)C(O)(Cc1ccc(Cl)cc1)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
CTSK P43235 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 1/20 0.36
EPHX2 P34913 1/20 0.36
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP2 P08253 1/20 0.35
CA9 Q16790 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
SCHEMBL3519146 0.88 CNR1 (0.49) CNR1CTSKSMN1; SMN2HPGDRAB9A
SCHEMBL3519625 0.81 CNR1 (0.42) CNR1CTSKSMN1; SMN2HPGDRAB9A
SCHEMBL3523525 0.73 CNR1 (0.59) CNR1CTSKLMNA
Hydrochloric Acid SCHEMBL5166456 0.73 LMNA (0.40) CNR1LMNA
SCHEMBL1379605 0.71 CNR1 (0.84) CNR1CNR2
SCHEMBL30344053 0.70 ALDH1A1 (0.50) CTSKSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL5142857 0.69 ALDH1A1 (0.42) CNR1L3MBTL1LMNAMMP2
SCHEMBL7135480 0.67 GPR88 (0.46) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL7135484 0.67 GPR88 (0.46) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL3521154 0.66 CNR1 (0.51) CNR1LMNA

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 22 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
EP-1575901-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2009-03-18 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
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
EP-1494997-A4 SUBSTITUTED ARYL AMIDES MERCK & CO INC (US) 2007-04-11 EP disclosed
EP-1499306-A4 BICYCLIC AMIDES MERCK & CO INC (US) 2007-03-28 EP 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 (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-20050154202-A1 Substituted aryl amides CNR1, CNR2, FAAH CNR1 1/4885CTSK 1204/4885SMN1; SMN2 708/4885
US-20050203112-A1 Bicyclic amides CNR1, CNR2, FAAH CNR1 1/4885CTSK 1243/4885SMN1; SMN2 826/4885
US-20080194645-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CTSK 1320/4885SMN1; SMN2 608/4885

“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.