SCHEMBL3479963

SCHEMBL3479963

CN1CCN(c2ccc(Cl)c(Cl)c2)c2ccc(-c3ncccn3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
SLC6A2 P23975 14/20 0.43
SLC6A4 P31645 14/20 0.43
SCN9A Q15858 1/20 0.42
SLC6A3 Q01959 12/20 0.39
KCNH2 Q12809 5/20 0.39
CYP2D6 P10635 5/20 0.39
CYP2C19 P33261 2/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3479700 0.88 SCN9A (0.46) HRH4SCN9AKCNH2
SCHEMBL3223902 0.88 SCN9A (0.46) HRH4SLC6A2SLC6A4SCN9ASLC6A3
SCHEMBL3479616 0.86 SCN9A (0.44) HRH4SCN9AKCNH2DRD2DRD3
SCHEMBL3226036 0.85 SLC6A2 (0.43) HRH4SLC6A2SLC6A4SCN9ASLC6A3
SCHEMBL3230914 0.84 SCN9A (0.45) HRH4SCN9ACYP2C9
SCHEMBL3479598 0.84 HTR3A (0.46) HRH4SLC6A2SLC6A4SCN9ASLC6A3
SCHEMBL3479576 0.84 SCN9A (0.44) SLC6A2SCN9AKCNH2
SCHEMBL3480219 0.84 HRH4 (0.43) HRH4SCN9AKCNH2CYP2D6CYP2C19
SCHEMBL3232247 0.84 SCN9A (0.48) HRH4SCN9ADRD2DRD3
SCHEMBL3232074 0.84 CYP11B2 (0.45) SLC6A2SLC6A4SCN9ACYP2D6

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 HRH4 90/4885SLC6A2 28/4885SLC6A4 40/4885

“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.