SCHEMBL3079877

SCHEMBL3079877

CN1CCC(Oc2ccccc2Cl)c2ccc(-c3cncnc3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
DRD2 P14416 3/20 0.39
HTR1B P28222 1/20 0.39
HTR6 P50406 1/20 0.39
RET P07949 1/20 0.36
PAK1 Q13153 2/20 0.35
SSTR4 P31391 3/20 0.35
SSTR1 P30872 1/20 0.35
PKN1 Q16512 1/20 0.35
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SCD O00767 2/20 0.34
JAK1 P23458 1/20 0.33

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
SCHEMBL3099039 0.88 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3DRD2HTR1B
SCHEMBL3078965 0.86 ROCK2 (0.43) PAK1PKN1
SCHEMBL3074623 0.84 SSTR4 (0.37) SLC6A2SLC6A4SLC6A3SSTR4SSTR1
SCHEMBL3083174 0.84 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3PAK1SSTR4
SCHEMBL3079163 0.84 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3DRD2HTR1B
SCHEMBL3096061 0.83 GSK3B (0.43) SLC6A2SLC6A4SLC6A3DRD2SSTR4
SCHEMBL3476763 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3SSTR4SSTR1
SCHEMBL3081733 0.82 HTR2C (0.40) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL3083463 0.81 DRD2 (0.48) SLC6A2SLC6A4SLC6A3DRD2HTR1B
SCHEMBL3077920 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3SSTR4SSTR1

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.