SCHEMBL2114310

SCHEMBL2114310

CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)[C@H](NC(=O)c2ccc(F)cc2)[C@@H](O)CC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.53
PDK2 Q15119 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
S1PR2 O95136 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
GPR119 Q8TDV5 4/20 0.43
DGAT2 Q96PD7 1/20 0.42
USP30 Q70CQ3 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 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
SCHEMBL2112400 0.92 PDK2 (0.48) CTSSPDK2SMN1; SMN2KMT2AMEN1
SCHEMBL2114772 0.88 CTSS (0.44) CTSSS1PR2DGAT2USP30
SCHEMBL2113359 0.86 CTSS (0.53) CTSSSMN1; SMN2KMT2AMEN1HTT
SCHEMBL2610208 0.86 CTSS (0.57) CTSSSMN1; SMN2LMNA
SCHEMBL2610209 0.81 CTSS (0.52) CTSSSMN1; SMN2HTT
SCHEMBL2114923 0.79 CHRM1 (0.44) CTSSS1PR2DGAT2NAMPT
SCHEMBL2114397 0.79 CTSS (0.73) CTSSMAPT
SCHEMBL2113051 0.78 CHRM1 (0.49) CTSSSMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL2610207 0.78 CHRM1 (0.53) CTSSSMN1; SMN2LMNA
SCHEMBL2610210 0.76 CTSS (0.49) CTSSSMN1; SMN2KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630141-A1 CATHEPSIN S INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2013-08-28 EP disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
WO-2012054315-A1 CATHEPSIN S INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2012-04-26 WO disclosed
WO-2012054315-A1 CATHEPSIN S INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2012-04-26 WO disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 US disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 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-20120095020-A1 Cathepsin S Inhibitor Compounds CTSS, CTSZ, CTSV CTSS 1/4885PDK2 3722/4885SMN1; SMN2 3964/4885

“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.