SCHEMBL1499264

SCHEMBL1499264

N#C[C@H](Cc1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1)NC(=O)[C@@H]1CCCCN1OC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSC P53634 19/20 0.46
KCNH2 Q12809 3/20 0.43
CTSK P43235 2/20 0.43

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
SCHEMBL1499005 0.94 CTSC (0.47) CTSCKCNH2CTSK
SCHEMBL1499007 0.92 CTSC (0.45) CTSCKCNH2CTSK
SCHEMBL2073694 0.91 CTSC (0.52) CTSCKCNH2CTSK
SCHEMBL2073063 0.89 CTSC (0.43) CTSCKCNH2CTSK
SCHEMBL2072146 0.89 CTSC (0.52) CTSCKCNH2CTSK
SCHEMBL2074661 0.89 CTSC (0.47) CTSCKCNH2CTSK
SCHEMBL2075331 0.89 CTSC (0.56) CTSCKCNH2CTSK
SCHEMBL1498969 0.89 CTSC (0.45) CTSCKCNH2CTSK
SCHEMBL2075387 0.87 CTSC (0.52) CTSCKCNH2CTSK
SCHEMBL2075152 0.87 CTSC (0.52) CTSCKCNH2CTSK

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US claimed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US claimed
JP-2011506421-A 2011-03-03 JP claimed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP claimed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US claimed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 WO claimed
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 3209/4885KCNH2 2084/4885CTSK 3280/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885KCNH2 2084/4885CTSK 3280/4885

“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.