SCHEMBL17880600

SCHEMBL17880600

CN(C)CCC(Oc1cccc2c1OCO2)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.45
HRH3 Q9Y5N1 6/20 0.45
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
SLC6A9 P48067 2/20 0.41
HTR1A P08908 1/20 0.39
SLC6A2 P23975 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
THPO P40225 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL31543769 1.00 SLC6A4 (0.45) SLC6A4HRH3HTR2AHRH1SLC6A9
Oxalic Acid SCHEMBL19742808 0.94 SLC6A9 (0.44) SLC6A4HRH3SLC6A9
Oxalic Acid SCHEMBL31054153 0.94 SLC6A9 (0.44) SLC6A4HRH3SLC6A9
SCHEMBL17880601 0.91 SLC6A4 (0.43) SLC6A4HRH3SLC6A9SLC6A2CYP2D6
SCHEMBL31543752 0.91 SLC6A4 (0.43) SLC6A4HRH3SLC6A9SLC6A2CYP2D6
SCHEMBL31543768 0.91 SLC6A4 (0.43) SLC6A4HRH3SLC6A9SLC6A2CYP2D6
SCHEMBL17880602 0.90 UTS2R (0.45) SLC6A4HRH3SLC6A2
SCHEMBL31543767 0.90 UTS2R (0.45) SLC6A4HRH3SLC6A2
SCHEMBL31267569 0.90 SLC6A9 (0.39) SLC6A4HRH3HTR2AHRH1SLC6A9
SCHEMBL31267636 0.90 SLC6A9 (0.39) SLC6A4HRH3HTR2AHRH1SLC6A9

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 7/4885HRH3 1016/4885HTR2A 34/4885
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF TPH1, MAOA, MAOB SLC6A4 7/4885HRH3 1016/4885HTR2A 34/4885

“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.