SCHEMBL3088673

SCHEMBL3088673

COc1ccc2c(c1)CN(C)CCC2Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.56
SLC6A2 P23975 4/20 0.56
SLC6A3 Q01959 4/20 0.56
DRD1 P21728 9/20 0.51
DRD5 P21918 7/20 0.51
DRD2 P14416 6/20 0.46
DRD3 P35462 6/20 0.46
DRD4 P21917 5/20 0.46
RYR2 Q92736 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL3081298 0.85 ROCK2 (0.40) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL1248086 0.81 SLC6A4 (0.76) SLC6A4SLC6A2SLC6A3DRD1DRD5
SCHEMBL3083180 0.80 GFRA3 (0.39) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL3070174 0.79 PRMT5 (0.45) SLC6A4HRH3
SCHEMBL3076487 0.77 ROCK2 (0.53)
SCHEMBL3075982 0.77 SCN1A (0.45)
SCHEMBL3091916 0.77 KMT2A (0.42) SLC6A4SLC6A2SLC6A3DRD1DRD3
SCHEMBL3082949 0.76 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3
SCHEMBL3077823 0.76 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3
SCHEMBL3084325 0.76 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987252-B2 Aryloxy- and heteroaryloxy-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-24 US disclosed
US-20100210624-A1 ARYLOXY- AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-19 US disclosed
EP-2146720-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 EP disclosed
WO-2008141082-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2008-11-20 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 (1 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-20100210624-A1 ARYLOXY- AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, HTR2B, ADRA1B SLC6A4 16/4885SLC6A2 10/4885SLC6A3 13/4885

“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.