SCHEMBL2114397

SCHEMBL2114397

O=C(N[C@H]1c2cc(N3CCN(C4COC4)CC3)ccc2CC[C@@H]1O)c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.73
CHRM1 P11229 12/20 0.40
CHRM2 P08172 10/20 0.40
CHRM4 P08173 9/20 0.40
NPC1L1 Q9UHC9 1/20 0.37
MAPT P10636 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
RORC P51449 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
SCHEMBL2113830 0.95 CTSS (0.69) CTSSCHRM1CHRM2CHRM4HTR1A
SCHEMBL2726067 0.95 CTSS (0.69) CTSSCHRM1CHRM2CHRM4HTR1A
SCHEMBL2726066 0.95 CTSS (0.69) CTSSCHRM1CHRM2CHRM4HTR1A
SCHEMBL2113182 0.91 CTSS (0.65) CTSSCHRM1CHRM2CHRM4MAPT
SCHEMBL2610208 0.86 CTSS (0.57) CTSSCHRM1CHRM2CHRM4HTR1A
SCHEMBL2112156 0.86 CTSS (0.67) CTSSMAPTHTR1ADRD2HTR2A
SCHEMBL2710859 0.86 CTSS (0.67) CTSSMAPTHTR1ADRD2HTR2A
SCHEMBL2113243 0.86 CTSS (0.69) CTSSCHRM1CHRM2CHRM4MAPT
SCHEMBL2113245 0.86 CTSS (0.69) CTSSCHRM1CHRM2CHRM4MAPT
SCHEMBL2113247 0.86 CTSS (0.67) CTSSMAPTHTR1ADRD2HTR2A

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 7 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-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
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
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 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.