SCHEMBL3089215

SCHEMBL3089215

CN1CCC(Oc2ccccc2)c2ccc(-c3cnccn3)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.51
SLC6A3 Q01959 3/20 0.51
SLC6A4 P31645 2/20 0.51
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
DYRK1A Q13627 5/20 0.42
GSK3B P49841 4/20 0.42
GFRA3 O60609 3/20 0.40
RET P07949 2/20 0.40
GFRA1 P56159 1/20 0.36
GFRA2 O00451 1/20 0.36
ABL1 P00519 1/20 0.36
BACE1 P56817 1/20 0.36
PORCN Q9H237 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL3093495 0.90 SLC6A4 (0.46) SLC6A2SLC6A3SLC6A4PRMT5WDR77
SCHEMBL3093770 0.90 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4PRMT5WDR77
SCHEMBL3084823 0.90 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4PRMT5WDR77
SCHEMBL3076980 0.88 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4PRMT5WDR77
SCHEMBL3076948 0.86 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4PRMT5WDR77
SCHEMBL3083174 0.86 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4PRMT5WDR77
SCHEMBL3083180 0.84 GFRA3 (0.39) SLC6A2SLC6A3SLC6A4DYRK1AGFRA3
SCHEMBL3077823 0.82 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4DYRK1AGSK3B
SCHEMBL1246253 0.82 SLC6A4 (0.58) SLC6A2SLC6A3SLC6A4PRMT5WDR77
SCHEMBL3076487 0.81 ROCK2 (0.53) GFRA3RETROCK2

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 SLC6A2 10/4885SLC6A3 13/4885SLC6A4 16/4885

“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.