SCHEMBL2430003

SCHEMBL2430003

NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.81
HRH1 P35367 20/20 0.81
ADRA1B P35368 20/20 0.81
KCNH2 Q12809 19/20 0.81
HRH3 Q9Y5N1 16/20 0.81
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
HRH2 P25021 2/20 0.53
HRH4 Q9H3N8 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL2996924 0.95 ADRA1A (0.84) ADRA1AHRH1ADRA1BKCNH2HRH3
SCHEMBL2994321 0.89 HRH1 (0.78) ADRA1AHRH1ADRA1BKCNH2HRH3
SCHEMBL2432595 0.89 HRH1 (0.79) ADRA1AHRH1ADRA1BKCNH2HRH3
SCHEMBL2425882 0.89 ADRA1A (0.82) ADRA1AHRH1ADRA1BKCNH2HRH3
SCHEMBL13241560 0.88 HRH1 (0.79) ADRA1AHRH1ADRA1BKCNH2HRH3
SCHEMBL2436781 0.86 ADRA1A (0.73) ADRA1AHRH1ADRA1BKCNH2HRH3
SCHEMBL2428427 0.86 ADRA1A (0.84) ADRA1AHRH1ADRA1BKCNH2HRH3
SCHEMBL2988421 0.86 HRH1 (0.79) ADRA1AHRH1ADRA1BKCNH2HRH3
SCHEMBL2986603 0.86 HRH1 (0.72) ADRA1AHRH1ADRA1BKCNH2HRH3
SCHEMBL2997235 0.84 HRH1 (0.75) ADRA1AHRH1ADRA1BKCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215082-B1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2011-09-21 EP disclosed
US-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-08-26 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
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 (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-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH1 ADRA1A 273/4885HRH1 3/4885ADRA1B 283/4885
US-20100184770-A1 COMPOUNDS CMA1, TSLP, IL5 ADRA1A 592/4885HRH1 4/4885ADRA1B 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.