SCHEMBL5774076

SCHEMBL5774076

CN1CCN(c2nc3cc(Cl)ccc3nc2Cl)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.72
HTR3A P46098 6/20 0.72
HTR3B O95264 1/20 0.72
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL5772481 1.00 HRH4 (0.72) HRH4HTR3AHTR3BHRH3
SCHEMBL27661218 0.87 HRH4 (0.70) HRH4HTR3AHTR3BHRH3
SCHEMBL404202 0.87 HRH4 (0.70) HRH4HTR3AHTR3BHRH3
SCHEMBL6362360 0.85 HRH4 (0.68) HRH4HTR3AHTR3BHRH3
SCHEMBL404203 0.84 HRH4 (1.00) HRH4HTR3AHTR3B
SCHEMBL30223251 0.84 HRH4 (0.73) HRH4HTR3AHTR3B
SCHEMBL405806 0.84 HRH4 (0.73) HRH4HTR3AHTR3B
SCHEMBL606760 0.83 HRH4 (1.00) HRH4HTR3AHTR3BHRH3
Hydrochloric Acid SCHEMBL29694104 0.83 HRH4 (0.97) HRH4HTR3AHTR3B
SCHEMBL440993 0.82 HRH4 (0.63) HRH4HTR3AHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670774-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-21 EP disclosed
WO-2005033088-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-14 WO disclosed
US-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions HRH4, HRH3, LTB4R HRH4 1/4885HTR3A 225/4885HTR3B 134/4885

“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.