SCHEMBL3229147

SCHEMBL3229147

CN1CCN(c2ccccc2F)c2ccc(-c3ccc4ncnn4c3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.42
SLC6A4 P31645 6/20 0.42
SLC6A3 Q01959 6/20 0.42
TGFBR1 P36897 8/20 0.41
MAPK14 Q16539 2/20 0.41
DYRK1A Q13627 1/20 0.40
SCN5A Q14524 1/20 0.36
TNIK Q9UKE5 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SCN9A Q15858 1/20 0.35
JAK2 O60674 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
SCHEMBL3236761 0.87 DYRK1A (0.43) SLC6A2SLC6A4SLC6A3TGFBR1MAPK14
SCHEMBL3235981 0.85 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TGFBR1MAPK14
SCHEMBL3235256 0.85 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TGFBR1MAPK14
SCHEMBL3222383 0.85 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TGFBR1MAPK14
SCHEMBL3233372 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TGFBR1MAPK14
SCHEMBL3233389 0.82 DYRK1A (0.41) SLC6A2SLC6A4SLC6A3TGFBR1MAPK14
SCHEMBL3234343 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3TGFBR1MAPK14
SCHEMBL3229280 0.80 SCN5A (0.36) TGFBR1MAPK14SCN5ASCN9A
SCHEMBL3229414 0.80 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3SCN9A
SCHEMBL3227617 0.79 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3DYRK1ASCN9A

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-9096546-B2 Aryl- and heteroaryl-substituted tetrahydrobenzo-1,4-diazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-08-04 US disclosed
US-20100137287-A1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-03 US disclosed
EP-2146722-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 EP disclosed
WO-2008141081-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES 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-20100137287-A1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA1B, ADRB1, ADRA1D SLC6A2 28/4885SLC6A4 40/4885SLC6A3 32/4885

“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.