SCHEMBL3606871

SCHEMBL3606871

CNc1nc(N2CCCN(C)CC2)nc2ccc(Cl)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 12/20 1.00
HRH4 Q9H3N8 17/20 0.91
HRH1 P35367 1/20 0.61

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
SCHEMBL3614076 0.95 HRH4 (1.00) HTR3AHRH4HRH1
SCHEMBL3609343 0.85 HRH4 (1.00) HTR3AHRH4HRH1
SCHEMBL3611923 0.84 HRH4 (1.00) HTR3AHRH4HRH1
SCHEMBL438331 0.84 HRH4 (0.79) HTR3AHRH4HRH1
SCHEMBL3598115 0.79 HRH4 (1.00) HTR3AHRH4HRH1
SCHEMBL3602285 0.79 HRH4 (0.72) HTR3AHRH4HRH1
SCHEMBL604257 0.78 HRH4 (1.00) HTR3AHRH4HRH1
SCHEMBL3602277 0.77 HRH4 (0.78) HTR3AHRH4HRH1
SCHEMBL18500784 0.77 HTR3A (1.00) HTR3AHRH4
SCHEMBL3602282 0.77 HRH4 (1.00) HTR3AHRH4HRH1

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
US-20100016293-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use VERENIGING VOOR CHRISTELIJK, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2010-01-21 US disclosed
EP-2044027-A2 FUSED BICYCLIC COMPOUNDS INTERACTING WITH THE HISTAMINE H4 RECEPTOR Vereniging voor christelijk hoger onderwijs, wetenschappelijk onderzoek en patiëntenzorg (NL) 2009-04-08 EP disclosed
WO-2008003702-A2 FUSED BICYCLIC COMPOUNDS INTERACTING WITH THE HISTAMINE H4 RECEPTOR VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2008-01-10 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-20100016293-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use HRH4, HRH3, HRH2 HTR3A 137/4885HRH4 1/4885HRH1 4/4885

“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.