SCHEMBL4490823

SCHEMBL4490823

CC(NC(=O)OC(C)(C)C)c1ccc(CCN)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.46
CTSK P43235 4/20 0.46
ACACB O00763 3/20 0.42
ACACA Q13085 2/20 0.42
CTSS P25774 2/20 0.42
ATM Q13315 2/20 0.41
MAPT P10636 1/20 0.41
ALOX5 P09917 1/20 0.40
HTT P42858 1/20 0.40
PPARA Q07869 2/20 0.40
CA1 P00915 2/20 0.40
CA7 P43166 2/20 0.40
PPARG P37231 1/20 0.40
ABCB1 P08183 1/20 0.40
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL5914021 1.00 CA2 (0.46) CA2CTSKACACBACACACTSS
SCHEMBL29867937 0.89 CTSK (0.47) CA2CTSKCTSSATMMAPT
SCHEMBL4498506 0.85 CTSK (0.47) CA2CTSKCTSSATM
SCHEMBL13921181 0.85 CTSK (0.47) CA2CTSKCTSSATM
SCHEMBL5913940 0.84 GLS (0.46) CA2CTSKCTSSATMMAPT
SCHEMBL5913936 0.84 GLS (0.46) CA2CTSKCTSSATMMAPT
SCHEMBL1724454 0.84 CTSK (0.48) CA2CTSKACACBCTSSATM
SCHEMBL14831003 0.84 CTSK (0.48) CA2CTSKACACBCTSSATM
SCHEMBL1724453 0.84 CTSK (0.48) CA2CTSKACACBCTSSATM
SCHEMBL1438942 0.84 CTSK (0.47) CA2CTSKACACBCTSSATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 US disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 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-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT CA2 3454/4885CTSK 611/4885ACACB 2274/4885
US-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP CA2 2958/4885CTSK 1191/4885ACACB 2217/4885

“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.