SCHEMBL3597743

SCHEMBL3597743

CC(C)(C)OC(=O)N1CCC(N2CCC(F)(F)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
BACE1 P56817 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
PTPN2 P17706 1/20 0.40

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
SCHEMBL16992583 0.92 HPGD (0.47) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL13661300 0.92 HPGD (0.48) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL993941 0.90 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL2673106 0.87 NR1H2 (0.41) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL18609193 0.83 HPGD (0.46) HPGDRECQLEPHX1USP2SMN1; SMN2
Hydrochloric Acid SCHEMBL27149981 0.83 HPGD (0.43) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL27154630 0.82 CTSD (0.43) HPGDRECQLEPHX1CTSDCTSE
SCHEMBL2157153 0.81 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL4827509 0.81 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL27241563 0.80 KDM4E (0.43) HPGDRECQLEPHX1USP2SMN1; SMN2

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-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
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF HPGD 3904/4885RECQL 1287/4885EPHX1 2453/4885

“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.