SCHEMBL17880602

SCHEMBL17880602

CN(C)CCC(Oc1cccc2c1OCO2)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.45
SLC6A4 P31645 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
SLC6A2 P23975 1/20 0.41

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
SCHEMBL31543767 1.00 UTS2R (0.45) UTS2RSLC6A4HRH3SLC6A2
Oxalic Acid SCHEMBL19742800 0.94 UTS2R (0.48) UTS2R
SCHEMBL31543752 0.90 SLC6A4 (0.43) UTS2RSLC6A4HRH3SLC6A2
SCHEMBL31543768 0.90 SLC6A4 (0.43) UTS2RSLC6A4HRH3SLC6A2
SCHEMBL17880601 0.90 SLC6A4 (0.43) UTS2RSLC6A4HRH3SLC6A2
SCHEMBL31543769 0.90 SLC6A4 (0.45) SLC6A4HRH3SLC6A2
SCHEMBL17880600 0.90 SLC6A4 (0.45) SLC6A4HRH3SLC6A2
SCHEMBL31543765 0.89 AOC3 (0.42) UTS2RSLC6A4HRH3
SCHEMBL17880603 0.89 AOC3 (0.42) UTS2RSLC6A4HRH3
SCHEMBL31543770 0.88 SLC6A4 (0.42) UTS2RSLC6A4HRH3SLC6A2

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 UTS2R 3866/4885SLC6A4 7/4885HRH3 1016/4885
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF TPH1, MAOA, MAOB UTS2R 3866/4885SLC6A4 7/4885HRH3 1016/4885

“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.