SCHEMBL4032376

SCHEMBL4032376

O=C(NC(c1ccccc1)c1ccccc1)C1CN(C(=O)C2CCCCC2)CCN1C(=O)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
ADRB2 P07550 1/20 0.48
CNR1 P21554 4/20 0.47
CNR2 P34972 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CACNA2D1 P54289 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNA1C Q13936 1/20 0.44
RHOA P61586 1/20 0.43
TACR1 P25103 1/20 0.42
NPY2R P49146 1/20 0.42

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 0.88 CACNA2D1 (0.48) ALDH1A1ADRB2L3MBTL1KDM4EKMT2A
SCHEMBL4032714 0.83 HTR1A (0.44) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL4037091 0.81 ENPP2 (0.46) ALDH1A1KMT2AMEN1CACNA2D1CACNA1B
SCHEMBL4036687 0.78 ALDH1A1 (0.45) ALDH1A1LMNAKMT2AMEN1
SCHEMBL4038814 0.75 AGTR2 (0.44) ALDH1A1ADRB2KDM4ELMNACACNA2D1
SCHEMBL6270691 0.73 GAA (0.46) ALDH1A1LMNAKMT2AMEN1CACNA2D1
SCHEMBL4032640 0.73 ALDH1A1 (0.41) ALDH1A1ADRB2L3MBTL1KDM4ELMNA
SCHEMBL1381762 0.73 GAA (0.49) ALDH1A1KDM4ELMNAKMT2A
SCHEMBL4034513 0.71 F10 (0.44)
SCHEMBL4033443 0.70 P2RX7 (0.48) CNR1LMNA

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 ALDH1A1 610/4885ADRB2 281/4885CNR1 18/4885

“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.