SCHEMBL3285441

SCHEMBL3285441

CC(C)(C)OC(=O)NC(C(=O)c1ccccc1)C1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.39
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
PPARD Q03181 2/20 0.39
CTSL P07711 1/20 0.38
EPHX2 P34913 1/20 0.38
IDO1 P14902 1/20 0.38
CTSK P43235 2/20 0.37
ATM Q13315 1/20 0.37
CTSS P25774 1/20 0.37
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KCNA3 P22001 1/20 0.36
SLC6A2 P23975 2/20 0.36

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
SCHEMBL13266882 0.82 CTSS (0.38) AAK1IDO1CTSKCTSS
SCHEMBL5689127 0.82 CTSK (0.42) CTSLIDO1CTSKCTSSSLC6A4
SCHEMBL4715530 0.81 SMYD3 (0.46) CTSKCTSSSLC6A4SLC6A3SLC6A2
SCHEMBL4715527 0.81 SMYD3 (0.46) CTSKCTSSSLC6A4SLC6A3SLC6A2
SCHEMBL3289149 0.79 ATM (0.50) CTSLCTSKATMCTSS
SCHEMBL27533342 0.79 ATM (0.50) CTSLCTSKATMCTSS
SCHEMBL5780237 0.79 ATM (0.50) CTSLCTSKATMCTSS
SCHEMBL5462252 0.78 CTSK (0.41) CTSKCTSSSSTR1SSTR4SLC6A4
Bromide SCHEMBL8516032 0.78 CTSS (0.43) PPARGPPARAPPARDCTSLCTSK
Methylamine SCHEMBL5634041 0.77 ATM (0.48) CTSLCTSKATMCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714019-B2 Indole, azaindole and related heterocyclic pyrrolidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
US-20090186933-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-07-23 US disclosed
US-7531552-B2 Indole, azaindole and related heterocyclic pyrrolidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
EP-1474135-B9 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2008-08-06 EP disclosed
US-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-04-24 US disclosed
EP-1474135-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-11-21 EP disclosed
US-20060287531-A1 Indole, azaindole and related heterocyclic pyrrolidine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2006-12-21 US disclosed
EP-1474135-A4 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2006-01-18 EP disclosed
EP-1474135-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES Bristol-Myers Squibb Company (US) 2004-11-10 EP disclosed
US-20030236277-A1 Indole, azaindole and related heterocyclic pyrrolidine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-12-25 US disclosed
WO-2003068221-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-21 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 (4 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-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES IDO1, IDO2, INMT AAK1 2136/4885PPARG 3013/4885PPARA 2846/4885
US-20090186933-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES IDO1, IDO2, INMT AAK1 2136/4885PPARG 3013/4885PPARA 2846/4885
US-20060287531-A1 Indole, azaindole and related heterocyclic pyrrolidine derivatives IDO1, IDO2, INMT AAK1 2136/4885PPARG 3013/4885PPARA 2846/4885
US-20030236277-A1 Indole, azaindole and related heterocyclic pyrrolidine derivatives IDO1, IDO2, INMT AAK1 2136/4885PPARG 3013/4885PPARA 2846/4885

“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.