SCHEMBL3323819

SCHEMBL3323819

[CH2]CCN1CCC(CCC)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 4/20 0.45
HRH3 Q9Y5N1 2/20 0.44
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
DRD2 P14416 2/20 0.40
CHRM3 P20309 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 1/20 0.40
GNAI3 P08754 3/20 0.36
GNAI1 P63096 3/20 0.36
KCNH2 Q12809 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL27512781 0.88 GNAO1 (0.50) GNAO1HRH3CHRM2CHRM4CHRM5
SCHEMBL7741719 0.85 GNAO1 (0.49) GNAO1HRH3CHRM2CHRM4CHRM5
SCHEMBL3948738 0.83 GNAO1 (0.45) GNAO1HRH3CHRM2CHRM4CHRM5
Fluoride SCHEMBL30330474 0.83 GNAO1 (0.47) GNAO1HRH3CHRM2CHRM4CHRM5
SCHEMBL772159 0.83 HRH3 (0.40) GNAO1HRH3CHRM2CHRM4CHRM5
SCHEMBL14380398 0.81 GNAO1 (0.59) GNAO1HRH3CHRM2CHRM4CHRM5
SCHEMBL9255800 0.81 HRH3 (0.49) GNAO1HRH3CHRM2CHRM4CHRM5
SCHEMBL27590549 0.80 HRH3 (0.40) GNAO1HRH3DRD2HRH1
SCHEMBL24207822 0.79 GNAO1 (0.53) GNAO1HRH3CHRM2CHRM4CHRM5
SCHEMBL14393786 0.79 CYP1A2 (0.46) GNAO1HRH3CHRM2CHRM4CHRM5

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-2139472-B1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-01-13 EP disclosed
US-8288432-B2 Tetrahydroindole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2012-10-16 US disclosed
US-20100120749-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2010-05-13 US disclosed
EP-2139472-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2010-01-06 EP disclosed
EP-2000176-A1 Tetrahydroindole derivatives as NADPH Oxidase inhibitors GenKyo Tex (CH) 2008-12-10 EP disclosed
WO-2008116926-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2008-10-02 WO 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-20100120749-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS CYBB, NQO1, NOX4 GNAO1 363/4885HRH3 742/4885CHRM2 1072/4885

“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.