SCHEMBL3518534

SCHEMBL3518534

COC(=O)C(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
TRPA1 O75762 1/20 0.43
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PLA2G1B P04054 1/20 0.41
THRB P10828 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11565596 0.93 CYP2C9 (0.45) CYP2C9CYP2C19HSD17B10TSHRSLC6A2
SCHEMBL11565004 0.93 HSD17B10 (0.45) CYP2C9CYP2C19HSD17B10TSHRSLC6A2
SCHEMBL28695278 0.92 LMNA (0.53) CYP2C9CYP2C19HSD17B10L3MBTL1TRPA1
SCHEMBL28695277 0.92 LMNA (0.53) CYP2C9CYP2C19HSD17B10L3MBTL1TRPA1
SCHEMBL11565126 0.88 UTS2R (0.45) CYP2C9CYP2C19HSD17B10L3MBTL1LMNA
SCHEMBL11562550 0.86 LMNA (0.47) CYP2C9CYP2C19HSD17B10L3MBTL1LMNA
SCHEMBL28600328 0.84 CYP2C9 (0.61) CYP2C9CYP2C19HSD17B10TSHRSLC6A2
SCHEMBL9837170 0.80 TRPA1 (0.47) SLC6A2SLC6A4SLC6A3L3MBTL1TRPA1
SCHEMBL28465400 0.80 TRPA1 (0.47) CYP2C9CYP2C19HSD17B10TSHRL3MBTL1
SCHEMBL20540763 0.79 LMNA (0.65) TSHRL3MBTL1LMNANPSR1SMN1; SMN2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
WO-2005027837-A2 SUBSTITUTED SULFONAMIDES MERCK & CO., INC. (US) 2005-03-31 WO 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
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 CYP2C9 1269/4885CYP2C19 732/4885HSD17B10 4401/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG CYP2C9 1884/4885CYP2C19 1058/4885HSD17B10 4497/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH CYP2C9 1269/4885CYP2C19 732/4885HSD17B10 4401/4885

“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.