SCHEMBL4032714

SCHEMBL4032714

O=C(NC(c1ccccc1)c1ccccc1)C1CN(C(=O)CCN2CCCCC2)CCN1C(=O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.44
HTR7 P34969 4/20 0.44
UTS2R Q9UKP6 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4034993 0.85 CACNA2D1 (0.48) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL4032376 0.83 ALDH1A1 (0.53) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL4037091 0.83 ENPP2 (0.46) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL4036687 0.79 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1
SCHEMBL4032640 0.71 ALDH1A1 (0.41) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL4038814 0.71 AGTR2 (0.44) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL6270691 0.70 GAA (0.46) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL4038343 0.69 GAA (0.57) KMT2AALDH1A1
SCHEMBL1381762 0.69 GAA (0.49) KMT2AALDH1A1KDM4E
SCHEMBL4035592 0.69 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1L3MBTL1

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 5 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
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 HTR1A 30/4885HTR7 161/4885UTS2R 1547/4885

“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.