SCHEMBL7873696

SCHEMBL7873696

CC(C)(C)OC(=O)NC1(C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSC P53634 10/20 0.47
KCNH2 Q12809 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
ALDH1A1 P00352 4/20 0.43
CTSK P43235 1/20 0.42
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
CTSF Q9UBX1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTSS P25774 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
SCHEMBL7864104 0.96 CTSC (0.52) CTSCKCNH2LTB4RLTB4R2ALDH1A1
SCHEMBL7871806 0.95 CTSC (0.46) CTSCKCNH2LTB4RLTB4R2ALDH1A1
SCHEMBL2890536 0.89 CTSC (0.50) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2890537 0.89 CTSC (0.50) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL9888290 0.88 ALDH1A1 (0.45) KCNH2ALDH1A1GAALMNASMN1; SMN2
SCHEMBL2893243 0.88 CTSC (0.49) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2893241 0.88 CTSC (0.49) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL290127 0.88 CTSC (0.54) CTSCKCNH2LTB4RLTB4R2ALDH1A1
SCHEMBL7873527 0.86 ALDH1A1 (0.44) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL299918 0.86 CTSC (0.48) 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 3 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
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

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.