SCHEMBL2113124

SCHEMBL2113124

O=C(N[C@H]1c2cc(I)ccc2C[C@@H]1O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 18/20 0.56
CHRM2 P08172 13/20 0.56
CHRM4 P08173 11/20 0.56
NAMPT P43490 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL10525127 0.81 CHRM1 (0.52) CHRM1CHRM2CHRM4NAMPTNPC1
SCHEMBL2114300 0.80 CHRM1 (0.35) CHRM1CHRM2CHRM4NAMPT
SCHEMBL2610207 0.79 CHRM1 (0.53) CHRM1CHRM2CHRM4NPC1RAB9A
SCHEMBL2726320 0.78 CHRM1 (0.50) CHRM1CHRM2CHRM4NAMPT
SCHEMBL2113051 0.78 CHRM1 (0.49) CHRM1CHRM2CHRM4NAMPT
SCHEMBL14742546 0.77 CHRM1 (0.48) CHRM1CHRM2CHRM4NAMPT
SCHEMBL2079407 0.76 NPC1 (0.52) NAMPTNPC1RAB9A
SCHEMBL2610205 0.74 CHRM1 (0.49) CHRM1CHRM2CHRM4NAMPT
SCHEMBL2113182 0.74 CTSS (0.65) CHRM1CHRM2CHRM4NAMPT
SCHEMBL2113188 0.74 CHRM1 (0.46) CHRM1CHRM2CHRM4NAMPT

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 CHRM1 4241/4885CHRM2 4275/4885CHRM4 4744/4885

“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.