SCHEMBL2641012

SCHEMBL2641012

CN1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.56
▸ PDE4A P27815 1/20 0.56
▸ PDE4B Q07343 1/20 0.56
▸ PDE4C Q08493 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ HRH4 Q9H3N8 4/20 0.55
▸ HRH1 P35367 1/20 0.55
▸ HTR3B O95264 4/20 0.53
▸ HTR3A P46098 4/20 0.53
▸ HTR3E A5X5Y0 3/20 0.53
▸ HTR3D Q70Z44 3/20 0.53
▸ HTR3C Q8WXA8 3/20 0.53
▸ TNF P01375 1/20 0.52
▸ HTR1A P08908 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ BRD4 O60885 2/20 0.51

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
SCHEMBL28034968 0.87 CFTR (0.59) CFTRPDE4APDE4BPDE4CPDE4D
SCHEMBL10967129 0.83 HTR3A (0.71) HTR3A
SCHEMBL28898444 0.76 CFTR (0.67) CFTRPDE4APDE4BPDE4CPDE4D
SCHEMBL5166005 0.76 MAPK1 (0.58) —
SCHEMBL7168715 0.75 HTR3A (0.81) HRH1HTR3ATNF
Oxalic Acid SCHEMBL8882079 0.73 CCR2 (0.49) BRD4
SCHEMBL28721388 0.73 CFTR (0.62) CFTRPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL11398762 0.72 MAT2A (0.54) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL15568680 0.72 MEN1 (0.60) —
SCHEMBL19032859 0.72 CFTR (1.00) CFTRPDE4APDE4BPDE4CPDE4D

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 CFTR 493/4885PDE4A 1001/4885PDE4B 858/4885

“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.

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