SCHEMBL8928003

SCHEMBL8928003

N#Cc1ccccc1CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.56
HRH2 P25021 3/20 0.46
HRH1 P35367 3/20 0.46
HRH3 Q9Y5N1 1/20 0.46
DRD2 P14416 6/20 0.44
DRD4 P21917 6/20 0.44
DRD1 P21728 4/20 0.44
DRD3 P35462 4/20 0.44
HTR1A P08908 3/20 0.44
HTR2A P28223 3/20 0.44
ADRB2 P07550 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
CHRM1 P11229 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
CHRM3 P20309 2/20 0.44

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
SCHEMBL8928031 0.89 HRH4 (0.61) HRH4HRH2HRH1HRH3DRD2
SCHEMBL8928121 0.82 HRH4 (0.56) HRH4HRH2HRH1HRH3DRD2
SCHEMBL8928041 0.80 HRH4 (0.53) HRH4HRH2HRH1HRH3DRD2
SCHEMBL7249840 0.77 HRH4 (0.72) HRH4HRH2HRH1HRH3DRD2
SCHEMBL9092632 0.76 DRD4 (0.44) DRD2DRD4DRD3HTR1ACHRM1
SCHEMBL8204046 0.76 ALDH1A1 (0.52) DRD2DRD1DRD3HTR1AADRA2A
SCHEMBL4194509 0.75 HRH4 (0.69) HRH4HRH2HRH1HRH3DRD2
SCHEMBL20804350 0.74 COMT (0.53) DRD2DRD4DRD3CHRM1SLC6A2
SCHEMBL28024574 0.74 COMT (0.53) DRD2DRD4DRD3CHRM1SLC6A2
SCHEMBL8928035 0.73 HRH4 (0.62) HRH4HRH2HRH1HRH3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602120-A ADMINISTERING FOR TREATING A CONDITION MEDIATED BY THE D4 RECEPTOR: SCHIZOPHRENIA ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1997-02-11 US claimed
US-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-24 US disclosed
US-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-24 US disclosed
US-5602120-A ADMINISTERING FOR TREATING A CONDITION MEDIATED BY THE D4 RECEPTOR: SCHIZOPHRENIA ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1997-02-11 US disclosed
WO-1996018623-A1 BENZYL-SUBSTITUTED COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (US) 1996-06-20 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-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases CHRM2, ADRB2, CHRM3 HRH4 70/4885HRH2 80/4885HRH1 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.