SCHEMBL3479641

SCHEMBL3479641

CN1CCN(c2ccccc2)c2ccc(-n3ccccc3=O)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
SCN9A Q15858 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD3 P35462 1/20 0.36
HTR6 P50406 1/20 0.36
MCHR1 Q99705 4/20 0.35
CYP3A4 P08684 2/20 0.35
MAP4K1 Q92918 1/20 0.34
BACE1 P56817 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3235499 0.92 SLC6A2 (0.49) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3228568 0.88 HTR3A (0.46) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3234584 0.88 HRH4 (0.41) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479673 0.87 SLC6A2 (0.47) HRH4SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL3479624 0.87 HRH4 (0.41) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479718 0.83 HRH4 (0.40) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3217923 0.82 HRH4 (0.42) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3227220 0.82 SLC6A2 (0.49) HRH4SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL3479707 0.82 HRH4 (0.39) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479777 0.81 ADRA2C (0.51) SCN9ASLC6A4MEN1KMT2ADRD3

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 90/4885SCN9A 795/4885SLC6A2 28/4885

“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.