SCHEMBL2641137

SCHEMBL2641137

O=C(O)N1CCCN(c2nccnc2OCCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
SLC6A7 Q99884 1/20 0.34
PDE10A Q9Y233 3/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL5242132 0.83 PDE10A (0.49) MEN1KMT2APOLBPDE10A
SCHEMBL4324601 0.83 KDM4E (0.37) KDM4ELMNAALDH1A1NPSR1KMT2A
SCHEMBL4313498 0.81 TRPA1 (0.37) KDM4EMEN1KMT2APDE10A
SCHEMBL4003917 0.78 GPR119 (0.48) LMNAALDH1A1POLBPDE10A
SCHEMBL5242128 0.77 SLC6A7 (0.32) SLC6A7PDE10A
SCHEMBL5239263 0.76 CNR2 (0.39) SLC6A7PDE10A
SCHEMBL4312668 0.75 NPSR1 (0.52) KDM4ELMNAALDH1A1NPSR1MEN1
SCHEMBL2640249 0.74 SLC6A7 (0.41) SLC6A7
SCHEMBL4317148 0.74 KDM4E (0.41) KDM4EALDH1A1NPSR1KMT2ASMN1; SMN2
SCHEMBL4328938 0.73 PDGFRB (0.47) KDM4EALDH1A1NPSR1KMT2AHPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4831966-B2 2011-12-07 JP claimed
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US claimed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP claimed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP claimed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US claimed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 WO claimed
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US disclosed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP disclosed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP disclosed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US disclosed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 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-20040063693-A1 Compounds HTR1A, HTR1B, HTR2C SLC29A1 663/4885KDM4E 3661/4885LMNA 1742/4885

“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.