SCHEMBL3228409

SCHEMBL3228409

CN1CCN(c2ccccc2)c2ccc(-c3ccc(N)nn3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
SLC6A3 Q01959 5/20 0.49
SCN9A Q15858 4/20 0.49
SLC6A4 P31645 4/20 0.49
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
NCF1 P14598 1/20 0.36
HRH4 Q9H3N8 3/20 0.35
HTR3A P46098 1/20 0.35
MELK Q14680 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL3233871 0.89 SCN9A (0.50) SLC6A2SLC6A3SCN9ASLC6A4PDK1
SCHEMBL3227636 0.89 SCN9A (0.48) SLC6A2SLC6A3SCN9ASLC6A4PDK1
SCHEMBL3235379 0.88 SCN9A (0.47) SLC6A2SLC6A3SCN9ASLC6A4HRH4
SCHEMBL3230497 0.88 SCN9A (0.48) SLC6A2SLC6A3SCN9ASLC6A4PDK1
SCHEMBL3231895 0.88 SCN9A (0.48) SLC6A2SLC6A3SCN9ASLC6A4PDK1
SCHEMBL3234471 0.88 SLC6A2 (0.57) SLC6A2SLC6A3SCN9ASLC6A4PDK1
SCHEMBL3227128 0.86 SCN9A (0.46) SLC6A2SLC6A3SCN9ASLC6A4PDK1
SCHEMBL3222271 0.85 SLC6A2 (0.47) SLC6A2SLC6A3SCN9ASLC6A4PDK1
SCHEMBL3226294 0.85 SLC6A2 (0.47) SLC6A2SLC6A3SCN9ASLC6A4PDK1
SCHEMBL3231072 0.84 SCN9A (0.44) SLC6A2SLC6A3SCN9ASLC6A4PDK1

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 28/4885SLC6A3 32/4885SCN9A 795/4885

“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.