SCHEMBL2113243

SCHEMBL2113243

CN(C(=O)O)[C@H]1CCc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.69
CHRM1 P11229 8/20 0.39
CHRM2 P08172 6/20 0.39
CHRM4 P08173 6/20 0.39
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MAPT P10636 1/20 0.36
MCHR1 Q99705 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2113245 1.00 CTSS (0.69) CTSSCHRM1CHRM2CHRM4HDAC3
SCHEMBL2114505 0.96 CTSS (0.65) CTSSCHRM1CHRM2CHRM4
SCHEMBL2115289 0.92 CTSS (0.61) CTSSCHRM1CHRM2CHRM4HDAC3
SCHEMBL2115286 0.92 CTSS (0.61) CTSSCHRM1CHRM2CHRM4HDAC3
SCHEMBL2112138 0.89 CTSS (0.63) CTSSHDAC3HDAC8MAPTNPC1
SCHEMBL2112136 0.89 CTSS (0.63) CTSSHDAC3HDAC8MAPTNPC1
SCHEMBL2112566 0.87 CTSS (0.68) CTSSCHRM1CHRM2CHRM4HDAC3
SCHEMBL2112564 0.87 CTSS (0.68) CTSSCHRM1CHRM2CHRM4HDAC3
SCHEMBL2114397 0.86 CTSS (0.73) CTSSCHRM1CHRM2CHRM4MAPT
SCHEMBL2113247 0.83 CTSS (0.67) CTSSMAPTLMNA

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-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US claimed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 US claimed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 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 1/4885CHRM1 4241/4885CHRM2 4275/4885

“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.