SCHEMBL2115292

SCHEMBL2115292

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.60
CHRM1 P11229 8/20 0.38
CHRM2 P08172 7/20 0.38
CHRM4 P08173 7/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.36
ESRRG P62508 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2113247 0.92 CTSS (0.67) CTSSMAPTLMNAESRRG
SCHEMBL2114507 0.90 CTSS (0.63) CTSSESRRG
SCHEMBL2112569 0.88 CTSS (0.66) CTSSMAPTLMNAALDH1A1
SCHEMBL2112139 0.86 CTSS (0.61) CTSSMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL2113182 0.86 CTSS (0.65) CTSSCHRM1CHRM2CHRM4MAPT
SCHEMBL2115286 0.82 CTSS (0.61) CTSSCHRM1CHRM2CHRM4MAPT
SCHEMBL2115289 0.82 CTSS (0.61) CTSSCHRM1CHRM2CHRM4MAPT
SCHEMBL2114397 0.80 CTSS (0.73) CTSSCHRM1CHRM2CHRM4MAPT
SCHEMBL2610222 0.80 CTSS (0.85) CTSSCHRM1CHRM2CHRM4MAPT
SCHEMBL2726067 0.79 CTSS (0.69) CTSSCHRM1CHRM2CHRM4

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 2 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
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.