SCHEMBL17880592

SCHEMBL17880592

Cc1cccc(C(CCN(C)C)Oc2cccc3c2OCO3)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
SLC6A4 P31645 5/20 0.42
SLC6A2 P23975 1/20 0.42
AOC3 Q16853 1/20 0.41
HRH3 Q9Y5N1 4/20 0.37
HTR7 P34969 1/20 0.35
HTR1A P08908 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL31543759 1.00 KCNH2 (0.46) KCNH2SLC6A4SLC6A2AOC3HRH3
Oxalic Acid SCHEMBL19742742 0.94 KCNH2 (0.44) KCNH2SLC6A4SLC6A2AOC3HRH3
SCHEMBL17880600 0.89 SLC6A4 (0.45) SLC6A4SLC6A2HRH3HTR1AMEN1
SCHEMBL31543769 0.89 SLC6A4 (0.45) SLC6A4SLC6A2HRH3HTR1AMEN1
SCHEMBL31543765 0.88 AOC3 (0.42) KCNH2SLC6A4AOC3HRH3HTR2A
SCHEMBL19742804 0.88 AOC3 (0.42) KCNH2SLC6A4AOC3HRH3HTR7
SCHEMBL31543763 0.88 AOC3 (0.42) KCNH2SLC6A4AOC3HRH3HTR7
SCHEMBL17880603 0.88 AOC3 (0.42) KCNH2SLC6A4AOC3HRH3HTR2A
SCHEMBL17880590 0.87 AOC3 (0.44) KCNH2SLC6A4SLC6A2AOC3HRH3
SCHEMBL31543761 0.87 AOC3 (0.44) KCNH2SLC6A4SLC6A2AOC3HRH3

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 KCNH2 449/4885SLC6A4 7/4885SLC6A2 20/4885
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF TPH1, MAOA, MAOB KCNH2 449/4885SLC6A4 7/4885SLC6A2 20/4885

“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.