SCHEMBL3087994

SCHEMBL3087994

CN1CCC(Oc2cccc(Cl)c2)c2ccc(-c3cccc(N)n3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.40
NOS3 P29474 3/20 0.40
NOS2 P35228 2/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A4 P31645 2/20 0.39
SCN9A Q15858 3/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
HTR7 P34969 2/20 0.37
HTR6 P50406 2/20 0.37
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.34
HRH4 Q9H3N8 1/20 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
SCHEMBL3477064 0.89 SLC6A2 (0.39) NOS1NOS3NOS2SLC6A2SLC6A3
SCHEMBL3073556 0.88 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4HTR1ADRD2
SCHEMBL3081614 0.85 SLC6A2 (0.39) NOS1NOS3NOS2SLC6A2SLC6A3
SCHEMBL3476093 0.85 SLC6A2 (0.39) NOS1NOS3NOS2SLC6A2SLC6A3
SCHEMBL3475116 0.85 NOS1 (0.42) NOS1NOS3NOS2SLC6A2SLC6A3
SCHEMBL3084448 0.85 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4MCHR1FPR2
SCHEMBL3077908 0.82 MEN1 (0.39) SLC6A4MCHR1FPR2PROKR1HRH3
SCHEMBL3093495 0.82 SLC6A4 (0.46) SLC6A2SLC6A3SLC6A4MCHR1HRH3
SCHEMBL3069530 0.82 ROCK2 (0.42)
SCHEMBL3079163 0.81 SLC6A4 (0.43) SLC6A2SLC6A3SLC6A4DRD2HTR6

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 NOS1 1895/4885NOS3 1519/4885NOS2 1754/4885

“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.