SCHEMBL2779904

SCHEMBL2779904

CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GPR119 Q8TDV5 3/20 0.48
LIPE Q05469 1/20 0.45
SCD O00767 1/20 0.43
KIT P10721 1/20 0.42
EPHX2 P34913 2/20 0.42
TACR1 P25103 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
RORC P51449 3/20 0.39
P2RY1 P47900 1/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
BACE1 P56817 1/20 0.39
ABHD6 Q9BV23 1/20 0.39

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
SCHEMBL1103996 0.87 ALDH1A1 (0.51) KMT2AGPR119CTSDCTSEBACE1
SCHEMBL3925930 0.86 RORC (0.48) MEN1KMT2ARORC
SCHEMBL22509312 0.84 OPRM1 (0.55) MEN1KMT2AGPR119
SCHEMBL3396946 0.83 GPR119 (0.54) MEN1KMT2AGPR119LIPEEPHX2
SCHEMBL3160806 0.83 OPRM1 (0.56) GPR119
SCHEMBL651457 0.83 OPRM1 (0.56) MEN1KMT2A
SCHEMBL1938611 0.83 RORC (0.48) GPR119RORC
SCHEMBL2529921 0.83 CA12 (0.54) GPR119TACR1
SCHEMBL16553809 0.83 ATM (0.43) GPR119TACR1
SCHEMBL16553802 0.83 JAK2 (0.50) MEN1KMT2AGPR119

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-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
EP-2029592-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-03-04 EP disclosed
WO-2007125325-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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-20100016340-A1 PHARMACEUTICAL COMPOUNDS PKN2, PKN1, CSNK1A1 MEN1 484/4885KMT2A 3188/4885GPR119 680/4885

“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.