SCHEMBL17880607

SCHEMBL17880607

CNCCC(Oc1cccc2c1OCO2)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.59
SLC6A2 P23975 11/20 0.59
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 4/20 0.47
TSHR P16473 3/20 0.47
SLC6A3 Q01959 3/20 0.47
KMT2A Q03164 2/20 0.47
CHRM1 P11229 2/20 0.47
ADRA2B P18089 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HRH1 P35367 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
OPRK1 P41145 2/20 0.47
HTR2B P41595 2/20 0.47
KCNH2 Q12809 2/20 0.47
KLF10 Q13118 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47

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
SCHEMBL31543764 1.00 SLC6A4 (0.59) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Oxalic Acid SCHEMBL19742685 0.94 SLC6A4 (0.53) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL25334226 0.91 SLC6A4 (0.59) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL17880606 0.91 SLC6A4 (0.59) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL30521332 0.91 SLC6A4 (0.59) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL19742821 0.90 SLC6A4 (0.52) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL31543766 0.90 SLC6A4 (0.52) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL17880604 0.90 SLC6A4 (0.60) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL31543758 0.90 SLC6A4 (0.60) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL25333849 0.89 SLC6A2 (0.60) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6

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 7/4885SLC6A2 20/4885CYP1A2 72/4885
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF TPH1, MAOA, MAOB SLC6A4 7/4885SLC6A2 20/4885CYP1A2 72/4885

“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.