SCHEMBL4032673

SCHEMBL4032673

O=C(C(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)C(C(=O)N2CCCCC2CO)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 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
SCHEMBL6262110 0.87 AGTR2 (0.39) ALDH1A1CYP2D6CYP2C9CYP2C19PKM
SCHEMBL4038593 0.81 ALDH1A1 (0.51) RAB9AALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL4032756 0.76 ALDH1A1 (0.51) TDP1RAB9AALDH1A1CYP2D6CYP2C9
SCHEMBL4038120 0.76 GAA (0.49) ALDH1A1CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL4036042 0.76 PKM (0.53) RAB9AALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL4032832 0.75 MEN1 (0.46) RAB9AALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL1382447 0.75 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C9CYP2C19PKM
SCHEMBL4035013 0.73 MEN1 (0.46) TDP1RAB9AALDH1A1PKMSMN1; SMN2
SCHEMBL4033382 0.72 POLB (0.43) ALDH1A1CYP2D6CYP2C9CYP2C19PKM
SCHEMBL4035588 0.72 ALDH1A1 (0.59) ALDH1A1PKMHPGDMAPTNPSR1

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 6 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
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP disclosed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO 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 TDP1 3019/4885RAB9A 4023/4885ALDH1A1 610/4885

“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.