SCHEMBL3372232

SCHEMBL3372232

CC(=O)C(CC1CCC1)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
EPHX1 P07099 1/20 0.40
GSK3B P49841 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB5 P18084 1/20 0.40
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
USP30 Q70CQ3 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
TNF P01375 1/20 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
SCHEMBL3524049 0.81 NOTCH1 (0.46) CTSSCTSKMGLL
SCHEMBL21226969 0.76 TSHR (0.46) KMT2ATSHRMCOLN3SLC6A2SLC6A4
SCHEMBL3370029 0.75 KMT2A (0.39) KMT2ATSHREPHX1MCOLN3
SCHEMBL4562477 0.74 KMT2A (0.41) KMT2ATSHRMCOLN3
SCHEMBL3374749 0.73 KMT2A (0.41) KMT2ATSHREPHX1
SCHEMBL3374916 0.72 TSHR (0.43) KMT2ATSHREPHX1MCOLN3
SCHEMBL5146737 0.72 KMT2A (0.43) KMT2ATSHREPHX1MCOLN3
SCHEMBL3578785 0.72 CNR1 (0.57)
SCHEMBL13577684 0.72 ESR1 (0.44)
SCHEMBL4691467 0.71 TSHR (0.44) KMT2ATSHRMCOLN3

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 36 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 2292/4885TSHR 651/4885CTSB 409/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG KMT2A 3170/4885TSHR 1098/4885CTSB 377/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH KMT2A 2292/4885TSHR 651/4885CTSB 409/4885

“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.