SCHEMBL3071000

SCHEMBL3071000

CN1CCC(Oc2ccc3ccccc3c2)c2ccc(-c3cccnn3)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.61
SLC6A3 Q01959 10/20 0.61
SLC6A4 P31645 9/20 0.52
GSK3B P49841 3/20 0.35
DYRK1A Q13627 3/20 0.35
WNT1 P04628 1/20 0.34
BACE1 P56817 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
DRD3 P35462 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RAD52 P43351 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL3080420 0.91 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4GSK3BDYRK1A
SCHEMBL3077823 0.90 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4GSK3BDYRK1A
SCHEMBL3079885 0.88 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4BACE1HRH3
SCHEMBL3075976 0.88 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4BACE1HRH3
SCHEMBL3086385 0.88 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4BACE1
SCHEMBL3076316 0.87 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4BACE1HRH3
SCHEMBL3071510 0.87 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4BACE1
SCHEMBL3076011 0.86 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4BACE1HRH3
SCHEMBL3084448 0.86 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4BACE1HRH3
SCHEMBL3077940 0.86 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4HTR2C

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 5 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 claimed
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.