SCHEMBL6604915

SCHEMBL6604915

CC(=O)NC1CC(C)(C)[N]C(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
ALOX15 P16050 1/20 0.36
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GAA P10253 1/20 0.32
GRM6 O15303 2/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
TLR4 O00206 1/20 0.31
POLB P06746 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
GRM8 O00222 1/20 0.31

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
SCHEMBL18214762 0.77 ATM (0.42) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL319902 0.77 MAOB (0.43) ATMALDH1A1KDM4EALOX15GAA
SCHEMBL16614406 0.74 ATM (0.39) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL30233576 0.74 ALOX15 (0.42) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL25804455 0.74 ATM (0.39) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL25024421 0.74 ALOX15 (0.42) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL77511 0.74 RECQL (0.55) ATMALDH1A1KDM4EGAAPOLB
SCHEMBL25025784 0.74 ALOX15 (0.42) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL9620230 0.74 ATM (0.39) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL14904407 0.73 ATM (0.42) ATMALDH1A1KDM4EALOX15MTNR1A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004011427-A2 SUBSTITUTED BENZANILIDES AS MODULATORS OF THE CCR5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
EP-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP disclosed
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 EP disclosed
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 US disclosed
WO-2004010943-A2 SUBSTITUTED BENZANILIDES AS MODULATORS OF THE CCR5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed
WO-2004011427-A2 SUBSTITUTED BENZANILIDES AS MODULATORS OF THE CCR5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed
WO-2004010942-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS MODULATORS OF THE CCR5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 EP disclosed
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 WO disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO disclosed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 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 (1 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-20040038982-A1 Compounds and methods CCR5, CXCR3, CCR2 ATM 2514/4885ALDH1A1 2769/4885KDM4E 4452/4885

“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.