SCHEMBL17880569

SCHEMBL17880569

CN(C)CCC(Oc1cccc2c1OCO2)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.42
SLC6A2 P23975 6/20 0.42
SLC6A3 Q01959 5/20 0.42
HRH3 Q9Y5N1 3/20 0.41
UTS2R Q9UKP6 2/20 0.36
SLC6A9 P48067 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
SCHEMBL31543770 1.00 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3HRH3UTS2R
Oxalic Acid SCHEMBL19742820 0.94 SLC6A9 (0.40) SLC6A4SLC6A2SLC6A3HRH3UTS2R
SCHEMBL17880603 0.88 AOC3 (0.42) SLC6A4HRH3UTS2RSLC6A9
SCHEMBL31543765 0.88 AOC3 (0.42) SLC6A4HRH3UTS2RSLC6A9
SCHEMBL31543767 0.88 UTS2R (0.45) SLC6A4SLC6A2HRH3UTS2R
SCHEMBL17880602 0.88 UTS2R (0.45) SLC6A4SLC6A2HRH3UTS2R
SCHEMBL31543754 0.85 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL17880570 0.85 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL31543759 0.85 KCNH2 (0.46) SLC6A4SLC6A2HRH3
SCHEMBL17880592 0.85 KCNH2 (0.46) SLC6A4SLC6A2HRH3

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
US-10093644-B2 3-[(Benzo[D][1,3]dioxolan-4-yl)-oxy]-3-arylpropylamine type compounds and applications thereof NHWA PHARMA. CORPORATION (CN) 2018-10-09 US claimed
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF NHWA PHARMA. CORPORATION (CN) 2017-12-28 US claimed
US-10093644-B2 3-[(Benzo[D][1,3]dioxolan-4-yl)-oxy]-3-arylpropylamine type compounds and applications thereof NHWA PHARMA. CORPORATION (CN) 2018-10-09 US disclosed
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF NHWA PHARMA. CORPORATION (CN) 2017-12-28 US disclosed
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF NHWA PHARMA. CORPORATION (CN) 2017-12-28 US disclosed
WO-2016101898-A1 3-[(BENZO[D][1,3]DIOXOLANE-4-YL)-OXY]-3-ARYLANILINE TYPE COMPOUNDS AND APPLICATIONS THEREOF 江苏恩华药业股份有限公司 2016-06-30 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 (2 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-10093644-B2 3-[(Benzo[D][1,3]dioxolan-4-yl)-oxy]-3-arylpropylamine type compounds and applications thereof TPH1, MAOA, MAOB SLC6A4 7/4885SLC6A2 20/4885SLC6A3 6/4885
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF TPH1, MAOA, MAOB SLC6A4 7/4885SLC6A2 20/4885SLC6A3 6/4885

“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.