SCHEMBL2114513

SCHEMBL2114513

N[C@H]1c2cc(Br)ccc2OCC[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
MAP3K14 Q99558 1/20 0.36
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HCRTR2 O43614 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
AHR P35869 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
DPP4 P27487 2/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL2610214 0.84 DRD2 (0.40) ADRA2ALMNAMAPTHTTBLM
SCHEMBL2112685 0.84 DRD2 (0.40) ADRA2ALMNAMAPTHTTBLM
SCHEMBL4142656 0.80 ADRA2A (0.50) ADRA2ALMNAMAPTHTTBLM
SCHEMBL1271967 0.80 MAP3K14 (0.51) ADRA2ALMNAMAPTHTTBLM
Hydrochloric Acid SCHEMBL21810776 0.79 ADRA2A (0.49) ADRA2ALMNAMAPTHTTBLM
Hydrochloric Acid SCHEMBL27159672 0.79 ADRA2A (0.49) ADRA2ALMNAMAPTHTTBLM
SCHEMBL2114929 0.78 ADRA2A (0.45) ADRA2ALMNAMAPTHTTBLM
SCHEMBL10481308 0.76 HSP90AA1 (0.42) LMNAMAPTHTTNPC1RAB9A
SCHEMBL24916258 0.75 ADRA2A (0.51) ADRA2ALMNAMAPTHTTBLM
SCHEMBL30134460 0.75 ADRA2A (0.51) ADRA2ALMNAMAPTHTTBLM

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 6 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
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 ADRA2A 1955/4885LMNA 718/4885MAPT 940/4885

“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.