SCHEMBL16765313

SCHEMBL16765313

Cc1cccc(C(O)CCN(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
HTR2A P28223 2/20 0.47
HRH1 P35367 2/20 0.47
AOC3 Q16853 2/20 0.43
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ACP3 P15309 1/20 0.39
UTS2R Q9UKP6 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
SCHEMBL19399109 0.84 TAAR1 (0.44) TAAR1AOC3SLC6A2SLC6A4ACP3
SCHEMBL19742792 0.81 TAAR1 (0.49) TAAR1HTR2AHRH1AOC3SLC6A2
SCHEMBL10324223 0.81 SLC6A2 (0.49) TAAR1HTR2AHRH1AOC3SLC6A2
SCHEMBL8722245 0.81 TAAR1 (0.49) TAAR1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL13850017 0.80 TAS1R3 (0.45) TAAR1AOC3SLC6A2SLC6A4ACP3
SCHEMBL6055393 0.80 TAS1R3 (0.45) TAAR1AOC3SLC6A2SLC6A4ACP3
SCHEMBL3196398 0.80 ACP3 (0.42) TAAR1AOC3SLC6A2SLC6A4ACP3
SCHEMBL14402512 0.80 TAS1R3 (0.45) TAAR1AOC3SLC6A2SLC6A4ACP3
SCHEMBL13849155 0.80 TAS1R3 (0.45) TAAR1AOC3SLC6A2SLC6A4ACP3
SCHEMBL8791290 0.80 TAAR1 (0.43) TAAR1HTR2AHRH1AOC3SLC6A2

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 5 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
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2016-11-10 US disclosed
US-20150158851-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2015-06-11 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 (4 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 98/4885HTR2A 34/4885HRH1 1226/4885
US-20150158851-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TAAR1 2019/4885HTR2A 1685/4885HRH1 149/4885
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TAAR1 2019/4885HTR2A 1685/4885HRH1 149/4885
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF TPH1, MAOA, MAOB TAAR1 98/4885HTR2A 34/4885HRH1 1226/4885

“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.