SCHEMBL2822110

SCHEMBL2822110

O=C(O)NCCCN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.67
ADRA1A P35348 17/20 0.67
ADRA1B P35368 17/20 0.67
HRH3 Q9Y5N1 8/20 0.67
KCNH2 Q12809 9/20 0.66
ADRA2A P08913 2/20 0.66
CHRM1 P11229 2/20 0.66
ADRA2B P18089 2/20 0.66
HTR2A P28223 2/20 0.66
DRD3 P35462 2/20 0.66
ABCB1 P08183 2/20 0.66
CYP2D6 P10635 2/20 0.66
HTR2B P41595 2/20 0.66
CHRM2 P08172 1/20 0.66
ADRB1 P08588 1/20 0.66
GABRA1 P14867 1/20 0.66
ADRA2C P18825 1/20 0.66
SLC6A2 P23975 1/20 0.66
HTR2C P28335 1/20 0.66
SLC6A4 P31645 1/20 0.66

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
SCHEMBL2820250 0.97 HRH1 (0.67) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL2819064 0.95 HRH1 (0.68) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL4662127 0.88 HRH1 (0.63) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL2821068 0.85 HRH1 (0.56) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL13089731 0.85 ADRA1A (0.72) HRH1ADRA1AADRA1BHRH3KCNH2
Hydrochloric Acid SCHEMBL2820254 0.85 ADRA1A (0.73) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL10372558 0.85 ADRA1A (0.79) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL4771775 0.84 ADRA1A (0.61) HRH1ADRA1AADRA1BHRH3KCNH2
Hydrochloric Acid SCHEMBL2822615 0.84 ADRA1A (0.72) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL10375081 0.84 ADRA1A (0.75) HRH1ADRA1AADRA1BHRH3KCNH2

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-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 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 (2 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-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 HRH1 4/4885ADRA1A 362/4885ADRA1B 308/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 HRH1 4/4885ADRA1A 150/4885ADRA1B 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.