SCHEMBL3479404

SCHEMBL3479404

CN1CCN(c2ccc3ccccc3c2F)c2ccc(-c3cnccn3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SCN9A Q15858 1/20 0.40
DYRK1A Q13627 5/20 0.39
GSK3B P49841 3/20 0.36
DHFR P00374 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
METAP1 P53582 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
BACE1 P56817 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
SCHEMBL3479997 0.85 SCN9A (0.38) SCN9AHRH4METAP1MAPK14
SCHEMBL3233230 0.85 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3227316 0.85 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3224719 0.84 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3SCN9AHRH4
SCHEMBL3479740 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3SCN9ADHFR
SCHEMBL3230207 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3217462 0.82 SCN9A (0.40) SLC6A2SLC6A4SLC6A3SCN9AHRH4
SCHEMBL3234067 0.81 SCN9A (0.46) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3225679 0.81 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A
SCHEMBL3226065 0.80 SCN9A (0.45) SLC6A2SLC6A4SLC6A3SCN9ADYRK1A

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 2 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

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.