SCHEMBL4596531

SCHEMBL4596531

CN(C)C(=O)CN1C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.46
GRIN2B Q13224 3/20 0.46
CYP1A2 P05177 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KIF11 P52732 1/20 0.41
MAPT P10636 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
NOTUM Q6P988 1/20 0.40
HDAC1 Q13547 1/20 0.40
ATAD2 Q6PL18 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DGAT1 O75907 1/20 0.38
TP53 P04637 1/20 0.38
TDP2 O95551 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
SCHEMBL3306413 0.86 KIF11 (0.44) CYP1A2CYP11B1CYP11B2KIF11MAPT
SCHEMBL3310395 0.85 KIF11 (0.43) CYP1A2CYP11B1CYP11B2KIF11MAPT
SCHEMBL3315684 0.85 HDAC6 (0.44) CYP1A2CYP11B1CYP11B2KIF11MAPT
SCHEMBL3306832 0.82 MET (0.47) CYP1A2CYP11B1CYP11B2KIF11MAPT
SCHEMBL30394685 0.82 KIF11 (0.41) CYP1A2CYP11B1CYP11B2KIF11MAPT
SCHEMBL13273166 0.82 CYP11B2 (0.60) CYP1A2CYP11B1CYP11B2KIF11HDAC6
SCHEMBL3309660 0.80 KIF11 (0.45) CYP1A2CYP11B1CYP11B2KIF11MAPT
SCHEMBL3311164 0.79 S1PR1 (0.46) CYP1A2CYP11B1CYP11B2KIF11MAPT
SCHEMBL30393232 0.79 CYP11B1 (0.41) CYP1A2CYP11B1CYP11B2KIF11MAPT
SCHEMBL3309492 0.78 MET (0.54) GRIN1GRIN2BMAPTHRH3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP claimed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 GRIN1 3335/4885GRIN2B 3388/4885CYP1A2 4367/4885

“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.