SCHEMBL3653205

SCHEMBL3653205

COc1ccc2c(c1)CCN([C@@H]1CCCN(Cc3ccccc3)C1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.56
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
ACHE P22303 4/20 0.52
BACE1 P56817 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
CHRM3 P20309 1/20 0.47
HRH2 P25021 1/20 0.45

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
SCHEMBL3653206 1.00 DRD2 (0.56) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3652078 0.94 HTR2A (0.60) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3652081 0.94 HTR2A (0.60) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3654185 0.88 DRD2 (0.65) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3653314 0.87 DRD2 (0.47) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3653318 0.87 DRD2 (0.47) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4312395 0.85 CHRM3 (0.49) SIGMAR1ACHEMEN1KMT2ACHRM3
SCHEMBL4312397 0.85 CHRM3 (0.49) SIGMAR1ACHEMEN1KMT2ACHRM3
SCHEMBL3560220 0.84 HTR2A (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3560218 0.84 HTR2A (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1

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 4 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
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 DRD2 323/4885HTR2A 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.