SCHEMBL3222383

SCHEMBL3222383

CN1CCN(c2ccc(F)cc2)c2ccc(-c3ccc4ncnn4c3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.41
SLC6A4 P31645 6/20 0.41
SLC6A3 Q01959 6/20 0.41
SCN9A Q15858 1/20 0.41
DYRK1A Q13627 1/20 0.41
TNIK Q9UKE5 1/20 0.40
TGFBR1 P36897 2/20 0.39
MAPK14 Q16539 1/20 0.39
MAP4K4 O95819 2/20 0.39
JAK2 O60674 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
SCN5A Q14524 1/20 0.37
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
DRD2 P14416 2/20 0.35
HTR1B P28222 1/20 0.35
HTR6 P50406 1/20 0.35
ACVR1 Q04771 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
SCHEMBL3235256 0.92 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3235981 0.90 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3234343 0.90 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3236761 0.90 DYRK1A (0.43) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3233372 0.89 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3227617 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3233389 0.85 DYRK1A (0.41) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3229147 0.85 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3227458 0.80 SCN9A (0.41) SCN9ATGFBR1MAPK14MAPKAPK2SCN5A
SCHEMBL3234663 0.79 DRD2 (0.47) SLC6A2SLC6A4SLC6A3SCN9AMAPKAPK2

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.