SCHEMBL3079207

SCHEMBL3079207

CN1CCC(Oc2ccccc2)c2ccc(-c3ccc(N)nn3)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.56
SLC6A3 Q01959 9/20 0.56
SLC6A4 P31645 9/20 0.56
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
ROCK2 O75116 1/20 0.35
PBRM1 Q86U86 2/20 0.35
GFRA3 O60609 1/20 0.35
RET P07949 1/20 0.35
CXCR1 P25024 1/20 0.34
NUDT14 O95848 1/20 0.34
BTK Q06187 1/20 0.34
NUDT5 Q9UKK9 1/20 0.34
TRPC6 Q9Y210 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
SCHEMBL3076605 0.90 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4PDK1PDK2
SCHEMBL3073556 0.90 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4NPC1RAB9A
SCHEMBL3081775 0.90 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4PDK1PDK2
SCHEMBL3082949 0.89 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4ADORA2AADORA1
SCHEMBL3080634 0.88 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4PDK1PDK2
SCHEMBL3088131 0.88 SLC6A4 (0.48) SLC6A2SLC6A3SLC6A4TRPC6
SCHEMBL3088568 0.87 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4PDK1PDK2
SCHEMBL3077958 0.87 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4PDK1PDK2
SCHEMBL3073906 0.86 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4PDK1PDK2
SCHEMBL3093861 0.86 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4PDK1PDK2

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.