SCHEMBL2073327

SCHEMBL2073327

CC(C#N)N(C(=O)C1CCCCN1C(=O)O)c1ccc(-c2ccc3c(c2)sc(=O)n3CCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.34
CTSC P53634 1/20 0.34
CNR2 P34972 2/20 0.33
USP30 Q70CQ3 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL2074685 0.93 USP30 (0.37) SIGMAR1CTSCCNR2USP30
SCHEMBL2073325 0.82 CTSC (0.49) CTSC
SCHEMBL2074986 0.78 VHL (0.44) CTSC
SCHEMBL2074682 0.76 CTSC (0.48) CTSCUSP30
SCHEMBL2074681 0.76 CTSC (0.48) CTSCUSP30
SCHEMBL2075142 0.71 USP30 (0.42) USP30
SCHEMBL2075414 0.71 VHL (0.41) CTSCUSP30
SCHEMBL2075412 0.71 VHL (0.41) CTSCUSP30
SCHEMBL2074881 0.67 CTSC (0.54) CTSC
SCHEMBL2072192 0.66 USP30 (0.54) USP30

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-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
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 WO 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 SIGMAR1 229/4885CTSC 3209/4885CNR2 117/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R SIGMAR1 229/4885CTSC 3209/4885CNR2 117/4885

“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.