SCHEMBL2113039

SCHEMBL2113039

Brc1ccc2c(c1)C=CCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
BLM P54132 1/20 0.47
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
AHR P35869 3/20 0.42
CA1 P00915 1/20 0.38
MAOB P27338 2/20 0.36
ALOX5 P09917 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2C P28335 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 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
SCHEMBL1848748 0.81 AHR (0.45) LMNAMAPTHTTBLMCA9
SCHEMBL2350606 0.81 MAPT (0.50) LMNAMAPTHTTBLMCA9
SCHEMBL9585527 0.74 CA9 (0.46) MAPTCA9CA12CA1NPC1
SCHEMBL5205061 0.73 CA9 (0.48) MAPTCA9CA12CA1NPC1
SCHEMBL465130 0.72 ITGB2 (0.48) LMNAMAPTHTTCA9CA1
SCHEMBL6337030 0.71 CA9 (0.57) LMNAMAPTHTTCA9CA12
SCHEMBL26420636 0.71 AHR (0.64) LMNAMAPTHTTBLMCA9
SCHEMBL9585938 0.70 MAOA (0.35) CA9CA1MAOBNPC1RAB9A
SCHEMBL7291256 0.69 MAPT (0.50) LMNAMAPTHTTBLMAHR
SCHEMBL31046971 0.69 LMNA (0.46) LMNAMAPTHTTBLMCA9

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 19 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
CN-1854134-B Piperazine compounds, their preparation method and pharmaceutical composition containing same SERVIER LAB 2010-04-21 CN 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
CN-1854134-A Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists SERVIER LAB (FR) 2006-11-01 CN disclosed
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 US disclosed
WO-2006106241-A1 PIPERAZINE DERIVATIVES AND USE THEREOF AS SEROTONIN REUPTAKE INHIBITORS OR AS NEUROKININ ANTAGONISTS LES LABORATOIRES SERVIER (FR) 2006-10-12 WO 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
US-5194442-A 2,3,4,5-tetrahydro-1-benzoxepins, the use thereof and pharmaceutical products based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
EP-0360131-A1 2,3,4,5-Tetrahydro-1-benzoxepines, method for their preparation, their use and pharmaceutical compositions based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-28 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 LMNA 718/4885MAPT 940/4885HTT 1145/4885
US-20090075982-A1 Piperazine compounds HTR7, HTR5A, NPY5R LMNA 3113/4885MAPT 3862/4885HTT 3039/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R LMNA 3113/4885MAPT 3862/4885HTT 3039/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R LMNA 3113/4885MAPT 3862/4885HTT 3039/4885

“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.