SCHEMBL2998733

SCHEMBL2998733

O=C(O)CCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.79
ADRA1A P35348 18/20 0.79
ADRA1B P35368 18/20 0.79
KCNH2 Q12809 17/20 0.79
HRH3 Q9Y5N1 8/20 0.79
CYP3A4 P08684 3/20 0.69
CYP2D6 P10635 3/20 0.69
HRH2 P25021 3/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
HTR2B P41595 2/20 0.69
HRH4 Q9H3N8 1/20 0.64

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
SCHEMBL2984655 0.95 HRH1 (0.77) HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL14155510 0.93 HRH1 (0.79) HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL13241539 0.92 HRH1 (0.80) HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2984623 0.90 HRH1 (0.74) HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL13241511 0.89 HRH1 (0.72) HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2995517 0.89 HRH1 (0.72) HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL13241524 0.88 HRH1 (0.77) HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2997052 0.88 HRH1 (0.74) HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2998275 0.88 HRH1 (0.77) HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2990460 0.88 HRH1 (0.83) HRH1ADRA1AADRA1BKCNH2HRH3

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
US-20100184770-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-07-22 US disclosed
US-20100184770-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-07-22 US disclosed
US-20100184770-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-07-22 US disclosed
EP-2091538-B1 4-BENZYL-1(2H)-PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2010-03-03 EP disclosed
EP-2091538-B1 4-BENZYL-1(2H)-PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2010-03-03 EP disclosed
WO-2008074803-A2 4-BENZYL-L ( 2H) -PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 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-20100184770-A1 COMPOUNDS CMA1, TSLP, IL5 HRH1 4/4885ADRA1A 592/4885ADRA1B 464/4885

“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.