SCHEMBL19742792

SCHEMBL19742792

CN(C)CCC(O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
AOC3 Q16853 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN2B Q13224 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
SCHEMBL25301045 0.83 AOC3 (0.50) TAAR1SLC6A2SLC6A4HTR2AHRH1
SCHEMBL6001284 0.83 HTR2A (0.63) TAAR1SLC6A2SLC6A4HTR2AHRH1
SCHEMBL16765313 0.81 TAAR1 (0.48) TAAR1SLC6A2SLC6A4HTR2AHRH1
SCHEMBL13849406 0.81 CES2 (0.45) SLC6A2SLC6A4CES2CES1GRIN2B
SCHEMBL14402601 0.81 CES2 (0.45) SLC6A2SLC6A4CES2CES1GRIN2B
SCHEMBL13849940 0.81 CES2 (0.45) SLC6A2SLC6A4CES2CES1GRIN2B
SCHEMBL8075654 0.81 CES2 (0.45) SLC6A2SLC6A4CES2CES1GRIN2B
SCHEMBL9759735 0.80 TAAR1 (0.43) TAAR1SLC6A2SLC6A4HTR2AHRH1
SCHEMBL8722245 0.80 TAAR1 (0.49) TAAR1SLC6A2SLC6A4HTR2AHRH1
SCHEMBL10324223 0.80 SLC6A2 (0.49) TAAR1SLC6A2SLC6A4HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TAAR1 98/4885SLC6A2 20/4885SLC6A4 7/4885
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF TPH1, MAOA, MAOB TAAR1 98/4885SLC6A2 20/4885SLC6A4 7/4885

“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.