SCHEMBL3593948

SCHEMBL3593948

CC(=O)C(NC(=O)OC(C)(C)C)C1(c2ccccc2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
IDO1 P14902 1/20 0.38
CTSS P25774 4/20 0.38
CTSK P43235 3/20 0.38
ATM Q13315 2/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
MAPT P10636 1/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
ACE P12821 1/20 0.35
KLK5 Q9Y337 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP3A4 P08684 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL5571572 0.83 OPRM1 (0.45) OPRM1CYP3A4
SCHEMBL7790394 0.83 OPRM1 (0.41) OPRM1ATMTSHRALOX15MAPT
SCHEMBL14216801 0.80 TSHR (0.42) IDO1CTSSCTSKATMTSHR
SCHEMBL4517498 0.77 ATM (0.47) CTSSCTSKATMCTSLCTSB
SCHEMBL22798982 0.76 ATM (0.40) IDO1CTSSCTSKATMCTSL
SCHEMBL3892253 0.76 OPRM1 (0.45) OPRM1ATMTSHRALOX15
SCHEMBL3601379 0.76 PPARG (0.43) CTSSCTSKATMCTSLCTSB
Hydrochloric Acid SCHEMBL27552695 0.75 OPRM1 (0.44) OPRM1ATMTSHRALOX15
SCHEMBL8809962 0.73 OPRM1 (0.51) OPRM1ATMTSHRALOX15
SCHEMBL4749383 0.72 OPRM1 (0.44) OPRM1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 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 (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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF OPRM1 2515/4885IDO1 4090/4885CTSS 1/4885

“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.