SCHEMBL8041853

SCHEMBL8041853

CSc1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CCCCN3)cc2)ccc1N

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSC P53634 20/20 0.81
CTSK P43235 5/20 0.81
KCNH2 Q12809 3/20 0.81

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
SCHEMBL8022698 0.93 CTSC (0.78) CTSCCTSKKCNH2
SCHEMBL2072220 0.90 CTSC (1.00) CTSCCTSKKCNH2
SCHEMBL1499191 0.90 CTSC (1.00) CTSCCTSKKCNH2
SCHEMBL1499178 0.88 CTSC (0.87) CTSCCTSKKCNH2
SCHEMBL2073440 0.88 CTSC (0.87) CTSCCTSKKCNH2
SCHEMBL8045417 0.86 CTSC (0.72) CTSCCTSKKCNH2
SCHEMBL8037322 0.85 CTSC (0.68) CTSCCTSKKCNH2
SCHEMBL8039616 0.85 CTSC (0.82) CTSCCTSKKCNH2
SCHEMBL1499010 0.85 CTSC (0.76) CTSCCTSKKCNH2
SCHEMBL8036052 0.84 CTSC (0.67) CTSCCTSKKCNH2

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-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
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 (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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885CTSK 3280/4885KCNH2 2084/4885

“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.