SCHEMBL3074668

SCHEMBL3074668

CN1CCC(Oc2ccc(F)cc2)c2ccc(-c3ccc4ncnn4c3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.41
SLC6A2 P23975 7/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A3 Q01959 7/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
TNIK Q9UKE5 1/20 0.38
TGFBR1 P36897 2/20 0.37
JAK2 O60674 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPK14 Q16539 1/20 0.35
DRD2 P14416 2/20 0.35
HTR1B P28222 1/20 0.35
HTR6 P50406 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KIT P10721 1/20 0.34
DPP4 P27487 1/20 0.34
KCNH2 Q12809 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
SCHEMBL3477497 0.93 SLC6A2 (0.41) SCN5ASLC6A2SLC6A4SLC6A3TLR9
SCHEMBL3477321 0.91 SLC6A2 (0.40) SCN5ASLC6A2SLC6A4SLC6A3TLR9
SCHEMBL3477802 0.90 TGFBR1 (0.40) SCN5ASLC6A2SLC6A4SLC6A3TLR9
SCHEMBL3475127 0.87 SLC6A2 (0.42) SCN5ASLC6A2SLC6A4SLC6A3TLR9
SCHEMBL3477312 0.85 SLC6A4 (0.42) SCN5ASLC6A2SLC6A4SLC6A3TLR9
SCHEMBL3476763 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TLR9TLR8
SCHEMBL3090886 0.82 SCN5A (0.40) SCN5ATGFBR1MAPK14DRD2HTR1B
SCHEMBL3083463 0.82 DRD2 (0.48) SLC6A2SLC6A4SLC6A3DYRK1AMAPK14
SCHEMBL3083522 0.80 KMT2A (0.38) SLC6A2SLC6A4SLC6A3DRD2HTR1B
SCHEMBL3090257 0.79 MAP4K1 (0.42) DYRK1A

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 SCN5A 497/4885SLC6A2 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.