SCHEMBL6829520

SCHEMBL6829520

CN(C)CCC(O)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.58
TAAR1 Q96RJ0 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL31572076 1.00 AOC3 (0.58) AOC3TAAR1MEN1KMT2AHTR2A
SCHEMBL29784674 0.91 AOC3 (0.56) AOC3TAAR1MEN1KMT2AHTR2A
SCHEMBL11388130 0.90 AOC3 (0.49) AOC3TAAR1MEN1KMT2AHTR2A
Mandelic Acid SCHEMBL31572074 0.84 LMNA (0.49) AOC3HTR2AHRH1SLC6A4SLC6A3
SCHEMBL5463519 0.82 UTS2R (0.46) HTR2AHRH1
SCHEMBL4733883 0.81 CHRM2 (0.49) TAAR1MEN1KMT2AHTR2AHRH1
SCHEMBL5454333 0.81 AOC3 (0.58) AOC3HTR2AHRH1SLC6A2SLC6A4
SCHEMBL188905 0.81 HTR2A (0.42) AOC3TAAR1HTR2AHRH1
SCHEMBL4731821 0.81 HTR2A (0.42) AOC3HTR2AHRH1
SCHEMBL1205131 0.80 AOC3 (0.72) AOC3TAAR1MEN1KMT2AHTR2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912424-A Crystal forms of (R) -3- [ (benzodioxol-4-yl) oxy ] -N, N-dimethyl-3- (4-fluorophenyl) propylamine oxalate and preparation method and application thereof 江苏恩华药业股份有限公司 2025-05-02 CN disclosed
CN-105777706-B A kind of 3- [(benzo [d] [1,3] dioxolanes -4- base)-oxygroup] -3- arylprop aminated compounds and its application 江苏恩华药业股份有限公司 2019-08-23 CN disclosed
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
WO-2004043921-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-ARYL-3-HYDROXYMETHYL-1-METHYLPIPERIDINES. NATCO PHARMA LIMITED (IN) 2004-05-27 WO disclosed
EP-0399504-B1 Aryloxyphenylpropylamines their preparation and use NOVO NORDISK AS (DK) 1995-05-03 EP disclosed
US-5310756-A Aryloxyphenylpropylamines and their calcium overload blocking compositions and methods of use NOVO NORDISK A/S (DK) 1994-05-10 US disclosed
US-5145870-A Treating calcium overload in brain cells, anoxia, migraine, ischemia, epilepsy, neurodegenerative diseases NOVO NORDISK A/S (DK) 1992-09-08 US disclosed
EP-0399504-A2 Aryloxyphenylpropylamines their preparation and use NOVO NORDISK A/S (DK) 1990-11-28 EP 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 AOC3 35/4885TAAR1 98/4885MEN1 4658/4885
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF TPH1, MAOA, MAOB AOC3 35/4885TAAR1 98/4885MEN1 4658/4885

“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.