SCHEMBL2114521

SCHEMBL2114521

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.44
HRH3 Q9Y5N1 7/20 0.39
HRH1 P35367 1/20 0.39
CHRM1 P11229 6/20 0.38
CHRM2 P08172 5/20 0.38
CHRM4 P08173 4/20 0.38
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
KCNH2 Q12809 5/20 0.37
P2RX7 Q99572 1/20 0.37
NPC1L1 Q9UHC9 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2113188 0.91 CHRM1 (0.46) CTSSHRH3HRH1CHRM1CHRM2
SCHEMBL2610206 0.88 CTSS (0.47) CTSSCHRM1CHRM2CHRM4NPC1
SCHEMBL2114772 0.87 CTSS (0.44) CTSSHRH3HRH1CHRM1CHRM2
SCHEMBL2113359 0.86 CTSS (0.53) CTSSCHRM1CHRM2CHRM4HPGD
SCHEMBL2114923 0.79 CHRM1 (0.44) CTSSCHRM1CHRM2CHRM4
SCHEMBL2610205 0.79 CHRM1 (0.49) CTSSCHRM1CHRM2CHRM4
SCHEMBL2610208 0.78 CTSS (0.57) CTSSCHRM1CHRM2CHRM4NPC1
SCHEMBL2610209 0.77 CTSS (0.52) CTSSCHRM1CHRM2CHRM4NPC1
SCHEMBL2113907 0.77 CHRM1 (0.54) CTSSCHRM1CHRM2CHRM4NPC1
SCHEMBL2710775 0.76 CHRM1 (0.47) CTSSCHRM1CHRM2CHRM4LMNA

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 1/4885HRH3 1549/4885HRH1 855/4885

“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.