SCHEMBL2113359

SCHEMBL2113359

O=C(N[C@H]1c2cc(N3CCN(C(=O)O)CC3)ccc2CC[C@@H]1O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.53
CHRM1 P11229 5/20 0.40
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SLC6A7 Q99884 1/20 0.39
NPC1L1 Q9UHC9 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2113051 0.90 CHRM1 (0.49) CTSSCHRM1CHRM2CHRM4KMT2A
SCHEMBL2610208 0.90 CTSS (0.57) CTSSCHRM1CHRM2CHRM4LMNA
SCHEMBL2610209 0.87 CTSS (0.52) CTSSCHRM1CHRM2CHRM4SMN1; SMN2
SCHEMBL2114310 0.86 CTSS (0.53) CTSSKMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2115298 0.86 CTSS (0.51) CTSSCHRM1CHRM2CHRM4SMN1; SMN2
SCHEMBL2114521 0.86 CTSS (0.44) CTSSCHRM1CHRM2CHRM4NPC1L1
SCHEMBL2114397 0.85 CTSS (0.73) CTSSCHRM1CHRM2CHRM4NPC1L1
SCHEMBL2610210 0.81 CTSS (0.49) CTSSCHRM1CHRM2CHRM4KMT2A
Hydrochloric Acid SCHEMBL2113656 0.80 CTSS (0.48) CTSSCHRM1CHRM2CHRM4KMT2A
SCHEMBL2726066 0.79 CTSS (0.69) CTSSCHRM1CHRM2CHRM4KMT2A

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.