SCHEMBL3230803

SCHEMBL3230803

CN1CCN(c2ccccc2Cl)c2ccc(-c3ccc(OC(F)F)nn3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.46
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 6/20 0.46
SCN9A Q15858 1/20 0.37
HRH4 Q9H3N8 3/20 0.34
DRD2 P14416 5/20 0.33
HTR2A P28223 5/20 0.33
HTR7 P34969 5/20 0.33
HTR6 P50406 5/20 0.33
HTR1A P08908 3/20 0.33
TNF P01375 1/20 0.32
P2RX7 Q99572 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL3227282 0.90 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3SCN9A
SCHEMBL3235932 0.87 SCN9A (0.44) SLC6A2SLC6A4SLC6A3SCN9A
SCHEMBL3235642 0.87 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3SCN9AHRH4
SCHEMBL3234936 0.86 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3SCN9AHRH4
SCHEMBL3229440 0.85 SCN9A (0.39) SLC6A2SLC6A4SLC6A3SCN9AHRH4
SCHEMBL3223220 0.85 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3SCN9AHRH4
SCHEMBL3225929 0.83 SCN9A (0.43) SLC6A2SLC6A4SLC6A3SCN9AHTR6
SCHEMBL3233428 0.83 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SCN9AHRH4
SCHEMBL3226294 0.83 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3SCN9AHRH4
SCHEMBL3230792 0.83 SCN9A (0.44) SLC6A2SLC6A4SLC6A3SCN9AHRH4

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.