SCHEMBL4315548

SCHEMBL4315548

O=C1c2ccc(O)cc2CCN1C1CCN(C2CCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.59
MAOA P21397 3/20 0.43
MAOB P27338 2/20 0.43
PRKCI P41743 1/20 0.43
CRBN Q96SW2 1/20 0.43
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
KDM5A P29375 1/20 0.38
KDM1A O60341 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
AOC3 Q16853 2/20 0.37
HTR3A P46098 1/20 0.36
CYP26A1 O43174 1/20 0.36

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
SCHEMBL4315544 1.00 HRH3 (0.59) HRH3MAOAMAOBPRKCICRBN
SCHEMBL4316340 1.00 HRH3 (0.59) HRH3MAOAMAOBPRKCICRBN
SCHEMBL4307190 0.98 HRH3 (0.57) HRH3MAOAMAOBPRKCICRBN
SCHEMBL4307193 0.98 HRH3 (0.57) HRH3MAOAMAOBPRKCICRBN
SCHEMBL3651082 0.93 HRH3 (0.67) HRH3MAOAMAOBPRKCICRBN
SCHEMBL29798717 0.86 HRH3 (0.54) HRH3MAOAMAOBPRKCICRBN
SCHEMBL787033 0.86 HRH3 (0.54) HRH3MAOAMAOBPRKCICRBN
SCHEMBL26170054 0.84 MAOA (0.54) HRH3MAOAMAOBPRKCICRBN
SCHEMBL21040314 0.83 MAOA (0.52) HRH3MAOAMAOBPRKCICRBN
SCHEMBL4315124 0.82 HRH3 (0.56) HRH3KDM5A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4/4885MAOA 414/4885MAOB 387/4885

“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.