SCHEMBL2073451

SCHEMBL2073451

Cn1c(=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 7)

geneUniProtsupporting neighboursconfidence
VHL P40337 2/20 0.51
CTSC P53634 3/20 0.49
SCD5 Q86SK9 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
XIAP P98170 2/20 0.41

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
SCHEMBL2073322 0.89 CTSC (0.46) VHLCTSCSCD5OPRM1OPRD1
SCHEMBL2073323 0.89 CTSC (0.46) VHLCTSCSCD5OPRM1OPRD1
SCHEMBL2074016 0.89 CTSC (0.51) VHLCTSCOPRM1OPRD1OPRK1
SCHEMBL3772312 0.87 CTSC (0.53) VHLCTSCOPRM1OPRD1OPRK1
SCHEMBL2072010 0.86 CTSC (0.66) CTSC
SCHEMBL2075246 0.82 VHL (0.51) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL12422472 0.80 CTSC (0.47) CTSCSCD5
SCHEMBL2074846 0.80 CTSC (0.48) VHLCTSCOPRM1OPRD1OPRK1
SCHEMBL2074847 0.80 CTSC (0.48) VHLCTSCOPRM1OPRD1OPRK1
SCHEMBL3690891 0.80 VHL (0.52) VHLCTSCOPRM1OPRD1OPRK1

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 VHL 4069/4885CTSC 3209/4885SCD5 3705/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R VHL 4069/4885CTSC 3209/4885SCD5 3705/4885

“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.