SCHEMBL2114772

SCHEMBL2114772

CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)[C@H](NC(=O)c2ccc(F)cc2)[C@@H](O)CC3)C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
S1PR2 O95136 1/20 0.40
DGAT2 Q96PD7 3/20 0.39
HRH3 Q9Y5N1 4/20 0.39
CHRM1 P11229 6/20 0.38
CHRM2 P08172 5/20 0.38
CHRM4 P08173 4/20 0.38
ENPP2 Q13822 1/20 0.38
NR1H2 P55055 1/20 0.38
USP30 Q70CQ3 2/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 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
SCHEMBL2114923 0.93 CHRM1 (0.44) CTSSS1PR2DGAT2CHRM1CHRM2
SCHEMBL2114310 0.88 CTSS (0.53) CTSSS1PR2DGAT2USP30
SCHEMBL2114521 0.87 CTSS (0.44) CTSSHRH3CHRM1CHRM2CHRM4
SCHEMBL2610206 0.85 CTSS (0.47) CTSSCHRM1CHRM2CHRM4
SCHEMBL2113188 0.80 CHRM1 (0.46) CTSSHRH3CHRM1CHRM2CHRM4
SCHEMBL2112400 0.80 PDK2 (0.48) CTSSS1PR2CHRM1CHRM2CHRM4
SCHEMBL2710775 0.79 CHRM1 (0.47) CTSSCHRM1CHRM2CHRM4
SCHEMBL2610205 0.78 CHRM1 (0.49) CTSSCHRM1CHRM2CHRM4
SCHEMBL1583532 0.76 P2RX7 (0.51) HRH3ENPP2NR1H2HRH1KCNH2
SCHEMBL2113359 0.75 CTSS (0.53) CTSSCHRM1CHRM2CHRM4KCNH2

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 1/4885S1PR2 1075/4885DGAT2 3382/4885

“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.