SCHEMBL4037091

SCHEMBL4037091

O=C(NC(c1ccccc1)c1ccccc1)C1CN(C(=O)COc2ccccc2)CCN1C(=O)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.46
CPT2 P23786 4/20 0.45
CPT1A P50416 4/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 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
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FKBP1A P62942 1/20 0.42
MAPT P10636 1/20 0.41
GPR183 P32249 1/20 0.40
CPT1B Q92523 1/20 0.40
PKM P14618 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40

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 0.86 CACNA2D1 (0.48) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4036687 0.84 ALDH1A1 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL4032714 0.83 HTR1A (0.44) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4032376 0.81 ALDH1A1 (0.53) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4035592 0.74 ALDH1A1 (0.53) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL4032640 0.73 ALDH1A1 (0.41) ALDH1A1TSHRCACNA2D1CACNA1BCACNB1
SCHEMBL4038814 0.73 AGTR2 (0.44) ALDH1A1TSHRCACNA2D1CACNA1BCACNB1
SCHEMBL1381762 0.72 GAA (0.49) ALDH1A1KMT2AMAPT
SCHEMBL4034513 0.71 F10 (0.44)
SCHEMBL6270691 0.71 GAA (0.46) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C

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 ENPP2 1113/4885CPT2 432/4885CPT1A 1105/4885

“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.