SCHEMBL7873595

SCHEMBL7873595

CC(C)(C)OC(=O)NC1(C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSC P53634 17/20 0.49
KCNH2 Q12809 2/20 0.49
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
CTSK P43235 5/20 0.46
CTSS P25774 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSF Q9UBX1 1/20 0.39
RET P07949 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
SCHEMBL9886049 0.93 CTSC (0.49) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2890491 0.91 CTSC (0.52) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2890493 0.91 CTSC (0.52) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL7879390 0.91 CTSC (0.51) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2891821 0.88 CTSC (0.51) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2891819 0.88 CTSC (0.51) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2889383 0.88 CTSC (0.64) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2889385 0.88 CTSC (0.64) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL7878321 0.87 CTSC (0.50) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL7874997 0.87 CTSC (0.50) CTSCKCNH2LTB4RLTB4R2CTSK

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-8193239-B2 Substituted 1-cyanoethylheterocyclylcarboxamide compounds ASTRAZENECA AB (SE) 2012-06-05 US disclosed
US-8193239-B2 Substituted 1-cyanoethylheterocyclylcarboxamide compounds ASTRAZENECA AB (SE) 2012-06-05 US disclosed
WO-2010128324-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 WO disclosed
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 US disclosed
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 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-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 CTSC 1989/4885KCNH2 332/4885LTB4R 881/4885

“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.