SCHEMBL3654157

SCHEMBL3654157

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.44
▸ HRH3 Q9Y5N1 5/20 0.43
▸ KCNH2 Q12809 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 0.41
▸ KDM1A O60341 4/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38

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
SCHEMBL3654015 0.86 HRH3 (0.51) USP30HRH3KCNH2HTR2AHTR2C
SCHEMBL3649373 0.85 GPR119 (0.54) HRH3KCNH2
SCHEMBL3655507 0.83 HRH3 (0.47) USP30HRH3KCNH2HTR2AHTR2C
SCHEMBL3657511 0.83 HRH3 (0.47) USP30HRH3KCNH2HTR2AHTR2C
SCHEMBL3656466 0.83 HRH3 (0.49) USP30HRH3KCNH2HTR2AHTR2C
SCHEMBL3648862 0.83 HTR2A (0.48) USP30HRH3KCNH2HTR2AHTR2C
Hydrochloric Acid SCHEMBL3810162 0.83 HRH3 (0.48) USP30HRH3KCNH2HTR2AHTR2C
SCHEMBL3658614 0.83 HRH3 (0.46) USP30HRH3KCNH2HTR2AHTR2C
Hydrochloric Acid SCHEMBL3657483 0.82 HTR2A (0.47) USP30HRH3KCNH2HTR2AHTR2C
SCHEMBL3657719 0.82 HRH3 (0.47) HRH3KCNH2HTR2AHTR2CHTR2B

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 USP30 2636/4885HRH3 4/4885KCNH2 456/4885

“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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