SCHEMBL2610222

SCHEMBL2610222

CNC(=O)O[C@H]1Cc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.85
MAPT P10636 1/20 0.38
CHRM1 P11229 11/20 0.37
CHRM2 P08172 9/20 0.37
CHRM4 P08173 8/20 0.37
S1PR2 O95136 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
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
BRD4 O60885 1/20 0.34
NPC1L1 Q9UHC9 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
SCHEMBL2618613 0.92 CTSS (1.00) CTSSMAPTCHRM1CHRM2CHRM4
SCHEMBL2618855 0.90 CTSS (0.91) CTSSMAPTS1PR2NPC1
SCHEMBL2732083 0.90 CTSS (0.91) CTSSMAPTS1PR2NPC1
SCHEMBL31285784 0.88 CTSS (1.00) CTSSMAPTS1PR2LMNATP53
SCHEMBL2618738 0.88 CTSS (1.00) CTSSMAPTS1PR2LMNATP53
SCHEMBL2710565 0.88 CTSS (1.00) CTSSMAPTS1PR2LMNATP53
SCHEMBL2712451 0.86 CTSS (0.86) CTSSMAPTS1PR2LMNATP53
SCHEMBL2618905 0.86 CTSS (0.86) CTSSMAPTS1PR2LMNATP53
SCHEMBL2713563 0.86 CTSS (0.86) CTSSMAPTS1PR2LMNATP53
SCHEMBL2113182 0.84 CTSS (0.65) CTSSMAPTCHRM1CHRM2CHRM4

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 3 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 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

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 1/4885MAPT 940/4885CHRM1 4241/4885

“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.