SCHEMBL2114923

SCHEMBL2114923

CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)[C@H](NC(=O)c2ccc(F)cc2)[C@@H](O)C3)C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.44
CHRM2 P08172 13/20 0.44
CHRM4 P08173 11/20 0.44
S1PR2 O95136 1/20 0.41
NAMPT P43490 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
CTSS P25774 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL2114772 0.93 CTSS (0.44) CHRM1CHRM2CHRM4S1PR2DGAT2
SCHEMBL2113188 0.88 CHRM1 (0.46) CHRM1CHRM2CHRM4NAMPTCTSS
SCHEMBL2112400 0.87 PDK2 (0.48) CHRM1CHRM2CHRM4S1PR2CTSS
SCHEMBL2710775 0.86 CHRM1 (0.47) CHRM1CHRM2CHRM4NAMPTCTSS
SCHEMBL2610205 0.85 CHRM1 (0.49) CHRM1CHRM2CHRM4NAMPTCTSS
SCHEMBL2114310 0.79 CTSS (0.53) S1PR2NAMPTDGAT2CTSS
SCHEMBL2114521 0.79 CTSS (0.44) CHRM1CHRM2CHRM4CTSS
SCHEMBL1583532 0.78 P2RX7 (0.51) ENPP2
SCHEMBL2610206 0.76 CTSS (0.47) CHRM1CHRM2CHRM4CTSS
SCHEMBL2113051 0.75 CHRM1 (0.49) CHRM1CHRM2CHRM4NAMPTCTSS

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 CHRM1 4241/4885CHRM2 4275/4885CHRM4 4744/4885

“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.