SCHEMBL4587114

SCHEMBL4587114

[NH]C(=O)CNC(=O)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
SLC6A9 P48067 3/20 0.49
SLC6A5 Q9Y345 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1742166 0.82 KDM4E (0.67) NPC1RAB9ALMNASLC6A9SLC6A5
SCHEMBL30450105 0.82 KDM4E (0.67) NPC1RAB9ALMNASLC6A9SLC6A5
SCHEMBL13113221 0.81 NPC1 (0.51) NPC1RAB9ALMNASLC6A9SLC6A5
SCHEMBL28484131 0.80 ALDH1A1 (0.73) NPC1RAB9ALMNASLC6A9SLC6A5
SCHEMBL22231453 0.80 LMNA (0.48) NPC1RAB9ALMNASLC6A9SLC6A5
SCHEMBL23014282 0.80 ALDH1A1 (0.73) NPC1RAB9ALMNASLC6A9SLC6A5
SCHEMBL4588250 0.80 GAA (0.63) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL1696266 0.80 NPC1 (0.54) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL23014277 0.79 SLC6A9 (0.58) LMNASLC6A9SLC6A5ALDH1A1MAPT
SCHEMBL26566648 0.78 KDM4E (0.61) NPC1RAB9ASLC6A9ALDH1A1MAPT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872381-B1 Radiopharmaceuticals for diagnosing Alzheimer's disease SCHERING AG (DE) 2005-03-29 US claimed
US-6676926-B2 FOR ADMINISTERING TO A HUMAN IN NEED OF SUCH DIAGNOSIS AND MEASURING THE RADIOACTIVITY ARISING FROM THE ADMINISTRATION OF THE COMPOUND TO THE HUMAN EITHER BY USING A GAMMA CAMERA OR BY POSITRON EMISSION TOMOGRAPHY SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 US claimed
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
EP-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
EP-1660089-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MYOCARDITIS SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-31 EP disclosed
EP-1332138-B1 RADIOPHARMACEUTICALS FOR DIAGNOSING ALZHEIMER'S DISEASE SCHERING AG (DE) 2005-12-28 EP disclosed
US-6977258-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-20 US disclosed
US-6555537-B2 Inhibit activity of chemokines, macrophage inflammatory protein-1 (MIP-1 alpha) and RANTES; 1-((4-chlorophenoxy)methyl)-carbonyl-2-methyl-4-(4-fluorobenzyl)piperazine for example SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6541476-B1 Treating multiple sclerosis or encephalomyelitis in a human SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-6534509-B1 Derivatives are useful as anti-inflammatory agents. This invention is also directed to pharmacetutical compostions for inflammation SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 EP disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
US-20020131932-A1 Radiopharmaceuticals for diagnosing alzheimer's disease SCHERING AG (DE) 2002-09-19 US disclosed
WO-2002036581-A1 RADIOPHARMACEUTICALS FOR DIAGNOSING ALZHEIMER'S DISEASE SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-10 WO disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 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 (5 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-20020131932-A1 Radiopharmaceuticals for diagnosing alzheimer's disease CCR1, CCR3, CCR2 NPC1 43/4885RAB9A 1575/4885LMNA 4389/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES NPC1 970/4885RAB9A 3844/4885LMNA 4370/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 NPC1 2797/4885RAB9A 751/4885LMNA 2687/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES NPC1 970/4885RAB9A 3844/4885LMNA 4370/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 NPC1 3725/4885RAB9A 3693/4885LMNA 3761/4885

“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.