SCHEMBL2114089

SCHEMBL2114089

Brc1ccc2c(c1)C1OC1CCO2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.48
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
DRD2 P14416 3/20 0.37
DRD3 P35462 2/20 0.37
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
ADRA2C P18825 1/20 0.36
DRD1 P21728 1/20 0.36
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
AHR P35869 2/20 0.35
MAOB P27338 2/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL4258462 0.83 DRD2 (0.45) ADRA2ALMNAMAPTHTTBLM
SCHEMBL24916258 0.77 ADRA2A (0.51) ADRA2ALMNAMAPTHTTBLM
SCHEMBL30134460 0.77 ADRA2A (0.51) ADRA2ALMNAMAPTHTTBLM
SCHEMBL4127692 0.77 ITGB2 (0.44) LMNAHTTDRD2DRD3HTR2A
SCHEMBL6338893 0.76 DRD2 (0.41) DRD2DRD3
SCHEMBL1271967 0.76 MAP3K14 (0.51) ADRA2ALMNAMAPTHTTBLM
SCHEMBL4142656 0.76 ADRA2A (0.50) ADRA2ALMNAMAPTHTTBLM
SCHEMBL25202695 0.76 ADRA2A (0.50) ADRA2ALMNAMAPTHTTBLM
Hydrochloric Acid SCHEMBL21810776 0.75 ADRA2A (0.49) ADRA2ALMNAMAPTHTTBLM
Hydrochloric Acid SCHEMBL27159672 0.75 ADRA2A (0.49) 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 14 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
US-7612061-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-11-03 US disclosed
US-20090076030-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-20090075982-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-7465733-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-12-16 US disclosed
EP-1710240-B1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists SERVIER LAB (FR) 2007-12-05 EP disclosed
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 US disclosed
EP-1710240-A1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists Les Laboratoires Servier (FR) 2006-10-11 EP 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 (4 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
US-20090075982-A1 Piperazine compounds HTR7, HTR5A, NPY5R ADRA2A 9/4885LMNA 3113/4885MAPT 3862/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R ADRA2A 9/4885LMNA 3113/4885MAPT 3862/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R ADRA2A 9/4885LMNA 3113/4885MAPT 3862/4885

“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.