SCHEMBL4621560

SCHEMBL4621560

C=CCN(CC([NH])=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
DPP4 P27487 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.30

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
SCHEMBL3652188 0.82 ALDH1A1 (0.52) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL569861 0.82 ALDH1A1 (0.52) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7354267 0.81 ALDH1A1 (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11632120 0.80
Hydrochloric Acid SCHEMBL27529568 0.80 ALDH1A1 (0.50) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7171007 0.79 ALDH1A1 (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7596175 0.78 ALDH1A1 (0.48) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4829857 0.73 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL569860 0.72 ALDH1A1 (0.52) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8008506 0.71 ALDH1A1 (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US claimed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US claimed
EP-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP claimed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US claimed
EP-1660089-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MYOCARDITIS SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-31 EP claimed
EP-1332138-B1 RADIOPHARMACEUTICALS FOR DIAGNOSING ALZHEIMER'S DISEASE SCHERING AG (DE) 2005-12-28 EP claimed
US-6977258-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-20 US claimed
US-6972290-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-06 US claimed
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 US claimed
WO-2005077372-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-25 WO claimed
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 US claimed
EP-1332138-A1 RADIOPHARMACEUTICALS FOR DIAGNOSING ALZHEIMER'S DISEASE SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-06 EP claimed
US-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 US claimed
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 claimed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US claimed
US-20020131932-A1 Radiopharmaceuticals for diagnosing alzheimer's disease SCHERING AG (DE) 2002-09-19 US claimed
WO-2002036581-A1 RADIOPHARMACEUTICALS FOR DIAGNOSING ALZHEIMER'S DISEASE SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-10 WO claimed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 US claimed
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP claimed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885GRIN2D 2400/4885GRIN3B 2560/4885
US-20020131932-A1 Radiopharmaceuticals for diagnosing alzheimer's disease CCR1, CCR3, CCR2 ALDH1A1 852/4885GRIN2D 1273/4885GRIN3B 424/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885GRIN2D 2400/4885GRIN3B 2560/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 ALDH1A1 1361/4885GRIN2D 2469/4885GRIN3B 2641/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885GRIN2D 2400/4885GRIN3B 2560/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885GRIN2D 2400/4885GRIN3B 2560/4885
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma CCL2, CCL11, CCL5 ALDH1A1 974/4885GRIN2D 3561/4885GRIN3B 3029/4885

“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.