SCHEMBL3467563

SCHEMBL3467563

CN1CCN(c2nc3ccccc3[nH]c2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 1.00
HTR3A P46098 4/20 1.00
PDGFRB P09619 2/20 0.55
FGFR1 P11362 2/20 0.55
KDR P35968 2/20 0.55
HTR3B O95264 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
PARP1 P09874 1/20 0.50
HTR6 P50406 1/20 0.50

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
SCHEMBL31749043 0.85 HRH4 (0.74) HRH4HTR3AKMT2AKDM4EALDH1A1
SCHEMBL13801322 0.84 HRH4 (0.72) HRH4HTR3AKMT2AKDM4EALDH1A1
SCHEMBL5237102 0.84 HTR3A (0.72) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL31214382 0.82 HTR3A (0.70) HRH4HTR3AKMT2AKDM4EALDH1A1
SCHEMBL31214324 0.82 HRH4 (0.70) HRH4HTR3AKMT2AKDM4EALDH1A1
SCHEMBL21548076 0.82 HRH4 (0.69) HRH4HTR3AKMT2AKDM4EALDH1A1
SCHEMBL5309716 0.81 BCHE (0.71) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL605145 0.81 HRH4 (1.00) HRH4HTR3APDGFRBFGFR1KDR
SCHEMBL604887 0.81 HRH4 (0.73) HRH4HTR3APDGFRBFGFR1KDR
SCHEMBL602695 0.81 HRH4 (0.81) HRH4HTR3APDGFRBFGFR1KDR

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
WO-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO disclosed
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 HRH4 158/4885HTR3A 11/4885PDGFRB 587/4885

“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.