SCHEMBL4034993

SCHEMBL4034993

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNB1 Q02641 1/20 0.48
CACNA1C Q13936 1/20 0.48
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PKM P14618 1/20 0.43
ADRB2 P07550 1/20 0.43
GRM5 P41594 1/20 0.43
XIAP P98170 1/20 0.43

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
SCHEMBL4032376 0.88 ALDH1A1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL4037091 0.86 ENPP2 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL4032714 0.85 HTR1A (0.44) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL4036687 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AXIAPBIRC3
SCHEMBL4038814 0.81 AGTR2 (0.44) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL6270691 0.80 GAA (0.46) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL4032640 0.77 ALDH1A1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL1381762 0.77 GAA (0.49) ALDH1A1KMT2AKDM4EHTT
SCHEMBL4034513 0.76 F10 (0.44)
SCHEMBL4035592 0.73 ALDH1A1 (0.53) ALDH1A1L3MBTL1MEN1KMT2AXIAP

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 CACNA2D1 1227/4885CACNA1B 174/4885CACNB1 853/4885

“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.