SCHEMBL4032640

SCHEMBL4032640

O=C(NCC(c1ccccc1)c1ccccc1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1C(=O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
TACR1 P25103 1/20 0.41
ADRB2 P07550 1/20 0.40
AGTR2 P50052 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4032488 0.81 POLB (0.46) ALDH1A1MEN1KMT2APOLBAGTR2
SCHEMBL4034993 0.77 CACNA2D1 (0.48) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL4037365 0.77 MAPT (0.45) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL1383286 0.76 P2RX7 (0.46) ALDH1A1MEN1KMT2ATACR1TSHR
SCHEMBL4038814 0.75 AGTR2 (0.44) ALDH1A1ADRB2AGTR2LMNATSHR
SCHEMBL1379548 0.75 ALDH1A1 (0.50) ALDH1A1AGTR2TSHR
SCHEMBL4036924 0.74 CFD (0.39) ALDH1A1MEN1KMT2APOLBTACR1
SCHEMBL4032376 0.73 ALDH1A1 (0.53) ALDH1A1L3MBTL1MEN1KMT2ATACR1
SCHEMBL4037091 0.73 ENPP2 (0.46) ALDH1A1MEN1KMT2ATSHRCACNA2D1
SCHEMBL4035421 0.72 ALDH1A1 (0.49) ALDH1A1L3MBTL1MEN1KMT2APOLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO claimed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 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 (1 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R ALDH1A1 610/4885L3MBTL1 4633/4885MEN1 4821/4885

“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.