SCHEMBL3660375

SCHEMBL3660375

O=C1c2ccc(OS(=O)(=O)C(F)(F)F)cc2CCN1[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
DRD2 P14416 3/20 0.45
MAOA P21397 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
MAOB P27338 1/20 0.45
CHRM2 P08172 2/20 0.42
CHRM3 P20309 2/20 0.42
ACHE P22303 4/20 0.42
BACE1 P56817 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
AOC3 Q16853 2/20 0.42

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
SCHEMBL3652397 1.00 HRH3 (0.45) HRH3DRD2MAOAHTR2AHTR2C
SCHEMBL3653318 0.94 DRD2 (0.47) HRH3DRD2MAOAHTR2AHTR2C
SCHEMBL3653314 0.94 DRD2 (0.47) HRH3DRD2MAOAHTR2AHTR2C
SCHEMBL3656341 0.94 DRD2 (0.48) HRH3DRD2MAOAHTR2AHTR2C
SCHEMBL3652078 0.86 HTR2A (0.60) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL3652081 0.86 HTR2A (0.60) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL3653740 0.81 HRH3 (0.60) HRH3DRD2MAOAMAOBDRD1
SCHEMBL3655569 0.81 HRH3 (0.63) HRH3DRD2MAOAMAOBDRD1
SCHEMBL4305309 0.81 HRH3 (0.63) HRH3DRD2MAOAMAOBDRD1
SCHEMBL3655572 0.81 HRH3 (0.63) HRH3DRD2MAOAMAOBDRD1

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
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
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
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 4/4885DRD2 323/4885MAOA 414/4885

“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.