SCHEMBL7873698

SCHEMBL7873698

COCCn1c(=O)oc2ccc(-c3ccc(C[C@H](NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)C(N)=O)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSC P53634 14/20 0.46
KCNH2 Q12809 1/20 0.36
ITGA4 P13612 2/20 0.34
ITGB7 P26010 2/20 0.34
TACR2 P21452 2/20 0.34
ITGB1 P05556 1/20 0.34
ASAH1 Q13510 1/20 0.33

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
SCHEMBL7867141 0.96 CTSC (0.47) CTSCKCNH2ITGA4ITGB7TACR2
SCHEMBL299685 0.91 CTSC (0.49) CTSCKCNH2ITGA4ITGB7TACR2
SCHEMBL9886047 0.91 CTSC (0.42) CTSCKCNH2ITGA4ITGB7TACR2
SCHEMBL16478309 0.90 CTSC (0.47) CTSCKCNH2ITGA4ITGB7TACR2
SCHEMBL16478310 0.90 CTSC (0.47) CTSCKCNH2ITGA4ITGB7TACR2
SCHEMBL9886051 0.88 CTSC (0.59) CTSCKCNH2
SCHEMBL7864262 0.87 CTSC (0.47) CTSCKCNH2ITGA4ITGB7TACR2
SCHEMBL299037 0.86 CTSC (0.49) CTSCKCNH2ITGA4ITGB7TACR2
SCHEMBL9888335 0.86 CTSC (0.46) CTSCKCNH2ITGA4ITGB7TACR2
SCHEMBL16478304 0.85 CTSC (0.43) CTSCKCNH2ITGA4ITGB7TACR2

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 332/4885ITGA4 3092/4885

“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.