SCHEMBL4587938

SCHEMBL4587938

[NH]C(=O)CNC(=O)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
TAS1R2 Q8TE23 2/20 0.50
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
GAA P10253 1/20 0.44
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
VNN1 O95497 6/20 0.43
PTPN7 P35236 2/20 0.42
DUSP3 P51452 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL615430 0.87 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL14528969 0.85 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL22288716 0.84 KDM4E (0.52) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL13702336 0.82 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL4588114 0.80 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL25216423 0.80 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL13753115 0.79 ALDH1A1 (0.59) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL3976727 0.77 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL612663 0.77 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL13407792 0.76 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2

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 31 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-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-6972290-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-06 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 TAS1R3 855/4885TAS1R1 555/4885TAS1R2 1012/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TAS1R3 4049/4885TAS1R1 4293/4885TAS1R2 3928/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 TAS1R3 3971/4885TAS1R1 3526/4885TAS1R2 3744/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TAS1R3 4049/4885TAS1R1 4293/4885TAS1R2 3928/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 TAS1R3 4812/4885TAS1R1 4756/4885TAS1R2 4738/4885

“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.