SCHEMBL2074016

SCHEMBL2074016

COCCn1c(=O)oc2ccc(-c3ccc(C[C@H](NC(=O)C4CCCCN4C(=O)O)C(N)=O)cc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSC P53634 9/20 0.51
VHL P40337 1/20 0.47
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
KCNH2 Q12809 1/20 0.40
XIAP P98170 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
SCHEMBL3772312 0.96 CTSC (0.53) CTSCVHLOPRM1OPRD1OPRK1
SCHEMBL2074847 0.91 CTSC (0.48) CTSCVHLOPRM1OPRD1OPRK1
SCHEMBL2074846 0.91 CTSC (0.48) CTSCVHLOPRM1OPRD1OPRK1
SCHEMBL2073451 0.89 VHL (0.51) CTSCVHLOPRM1OPRD1OPRK1
SCHEMBL2074633 0.88 CTSC (0.67) CTSCKCNH2
SCHEMBL7859717 0.87 CTSC (0.50) CTSCVHLOPRM1OPRD1OPRK1
SCHEMBL2073323 0.80 CTSC (0.46) CTSCVHLOPRM1OPRD1OPRK1
SCHEMBL2073322 0.80 CTSC (0.46) CTSCVHLOPRM1OPRD1OPRK1
SCHEMBL2075395 0.79 CTSC (0.63) CTSCKCNH2
SCHEMBL2075394 0.79 CTSC (0.63) CTSCKCNH2

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-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 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 (2 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885VHL 4069/4885OPRM1 332/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885VHL 4069/4885OPRM1 332/4885

“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.