SCHEMBL3650720

SCHEMBL3650720

COc1ccc2c(c1)CCN(C1CCN(C(=O)O)C1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
HTR2B P41595 3/20 0.49
MAOA P21397 2/20 0.46
MAOB P27338 1/20 0.46
KDM5A P29375 1/20 0.46
AOC3 Q16853 2/20 0.43
ACHE P22303 1/20 0.41
CYP26A1 O43174 1/20 0.41
CYP24A1 Q07973 1/20 0.41
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
DRD2 P14416 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3656203 0.93 HRH3 (0.54) HRH3HTR2AHTR2CHTR2BMAOA
SCHEMBL8230370 0.86 HRH3 (0.49) HRH3HTR2AHTR2CHTR2BMAOA
SCHEMBL3652365 0.82 STS (0.51) HRH3HTR2AHTR2CHTR2BMAOA
SCHEMBL787269 0.81 HRH3 (0.63) HRH3HTR2AHTR2CHTR2BMAOA
SCHEMBL8415823 0.80 HRH3 (0.62) HRH3HTR2AHTR2CHTR2BMAOA
SCHEMBL3652081 0.79 HTR2A (0.60) HRH3HTR2AHTR2CHTR2BACHE
SCHEMBL3652078 0.79 HTR2A (0.60) HRH3HTR2AHTR2CHTR2BACHE
SCHEMBL22725996 0.78 AOC3 (0.61) HRH3HTR2AHTR2CHTR2BMAOA
SCHEMBL18284114 0.76 HRH3 (0.41) HRH3HTR2AHTR2CHTR2BMAOA
SCHEMBL3654185 0.76 DRD2 (0.65) HRH3HTR2AHTR2CHTR2BACHE

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-2200998-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2010-06-30 EP disclosed
WO-2009036117-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 WO disclosed
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 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 (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-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH1, HRH2 HRH3 4/4885HTR2A 43/4885HTR2C 13/4885

“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.