SCHEMBL3658614

SCHEMBL3658614

N#Cc1ccc(-c2ccc3c(c2)CN(C2CCN(C4CCCCC4)CC2)C3=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ PARP2 Q9UGN5 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OGFRL1 Q5TC84 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
SCHEMBL3657511 0.99 HRH3 (0.47) HRH3KCNH2PARP2HTR2AHTR2C
SCHEMBL3655507 0.97 HRH3 (0.47) HRH3KCNH2PARP2HTR2AHTR2C
SCHEMBL3654015 0.86 HRH3 (0.51) HRH3KCNH2PARP2HTR2AHTR2C
SCHEMBL3653940 0.84 HRH3 (0.48) HRH3KCNH2PARP2HTR2AHTR2C
SCHEMBL3656466 0.83 HRH3 (0.49) HRH3KCNH2PARP2HTR2AHTR2C
SCHEMBL3648862 0.83 HTR2A (0.48) HRH3KCNH2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL3810162 0.83 HRH3 (0.48) HRH3KCNH2PARP2HTR2AHTR2C
SCHEMBL3654157 0.83 USP30 (0.44) HRH3KCNH2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL3657483 0.82 HTR2A (0.47) HRH3KCNH2HTR2AHTR2CHTR2B
SCHEMBL3657719 0.82 HRH3 (0.47) HRH3KCNH2PARP2HTR2AHTR2C

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
CN-101842366-A Azacyclylisoquinolinone and azacyclylisoindolone derivatives as histamine-3 antagonists WYETH CORP 2010-09-22 — — CN claimed
EP-2200998-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2010-06-30 — — EP claimed
WO-2009036117-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 — — WO claimed
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 — — US claimed
CN-101842366-A Azacyclylisoquinolinone and azacyclylisoindolone derivatives as histamine-3 antagonists WYETH CORP 2010-09-22 — — CN disclosed
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 4/4885KCNH2 456/4885PARP2 3846/4885

“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.

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