SCHEMBL3076948

SCHEMBL3076948

CN1CCC(Oc2ccccc2F)c2ccc(-c3cnccn3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
DYRK1A Q13627 4/20 0.40
GSK3B P49841 3/20 0.40
MAP4K1 Q92918 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
SSTR4 P31391 1/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
TDO2 P48775 1/20 0.35
GRM5 P41594 1/20 0.35
BACE1 P56817 1/20 0.35
BTK Q06187 1/20 0.34
CD69 Q07108 1/20 0.34
KMT2A Q03164 1/20 0.34
MLLT1 Q03111 2/20 0.34

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
SCHEMBL3086267 0.89 GSK3B (0.41) SLC6A2SLC6A4SLC6A3DYRK1AGSK3B
SCHEMBL3083174 0.89 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3DYRK1AGSK3B
SCHEMBL3084823 0.87 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DYRK1AGSK3B
SCHEMBL3089215 0.86 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3DYRK1AGSK3B
SCHEMBL3093435 0.85 SSTR4 (0.37) SLC6A2SLC6A4SLC6A3MAP4K1SSTR4
SCHEMBL3093770 0.85 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3DYRK1AGSK3B
SCHEMBL3076980 0.85 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DYRK1AGSK3B
SCHEMBL3099039 0.84 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3MAP4K1PRMT5
SCHEMBL3073915 0.84 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAP4K1SSTR4
SCHEMBL3087454 0.83 ROCK2 (0.43) MAP4K1

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 10/4885SLC6A4 16/4885SLC6A3 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.