SCHEMBL3076880

SCHEMBL3076880

CN1CCC(Oc2cc(F)cc(F)c2)c2ccc(-c3cncnc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HTR1B P28222 1/20 0.44
HTR6 P50406 1/20 0.44
RET P07949 2/20 0.38
DYRK1A Q13627 3/20 0.35
GSK3B P49841 2/20 0.35
TDO2 P48775 1/20 0.34
GFRA3 O60609 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
WNT1 P04628 1/20 0.33
WDR5 P61964 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 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
SCHEMBL3069782 0.92 SLC6A2 (0.45) DRD2SLC6A2SLC6A4SLC6A3HTR1B
SCHEMBL3083463 0.92 DRD2 (0.48) DRD2SLC6A2SLC6A4SLC6A3HTR1B
SCHEMBL3081707 0.85 MAP4K1 (0.42) DYRK1ATDO2WNT1
SCHEMBL3076980 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DYRK1AGSK3B
SCHEMBL3099039 0.83 SLC6A4 (0.47) DRD2SLC6A2SLC6A4SLC6A3HTR1B
SCHEMBL3079163 0.83 SLC6A4 (0.43) DRD2SLC6A2SLC6A4SLC6A3HTR1B
SCHEMBL3088500 0.83 KMT2A (0.35) DRD2SLC6A2SLC6A4SLC6A3DYRK1A
SCHEMBL3477497 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3DYRK1A
SCHEMBL3086594 0.82 HRH3 (0.44) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL3095137 0.81 SLC6A4 (0.41) SLC6A4PRMT5WDR77

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 DRD2 15/4885SLC6A2 10/4885SLC6A4 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.