SCHEMBL3225403

SCHEMBL3225403

CN1CCN(c2cccc(Cl)c2)c2cc(-n3ccccc3=O)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.46
DRD3 P35462 9/20 0.46
KCNH2 Q12809 8/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
BCL2A1 Q16548 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3227220 0.91 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HRH4ALDH1A1
SCHEMBL3217809 0.88 HRH4 (0.40) DRD2DRD3KCNH2SLC6A2SLC6A4
SCHEMBL3217515 0.85 HRH4 (0.44) DRD2DRD3KCNH2SLC6A2SLC6A4
SCHEMBL3217923 0.84 HRH4 (0.42) SLC6A2SLC6A4SLC6A3HRH4ALDH1A1
SCHEMBL3235499 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HRH4MAPT
SCHEMBL3479422 0.82 KCNH2 (0.43) DRD2DRD3KCNH2SLC6A2SLC6A4
SCHEMBL3237566 0.81 HRH4 (0.41) SLC6A2SLC6A4SLC6A3HRH4ALDH1A1
SCHEMBL3232660 0.81 DRD2 (0.52) DRD2DRD3KCNH2DRD4HTR2A
SCHEMBL3479641 0.80 HRH4 (0.44) DRD3SLC6A2SLC6A4SLC6A3HRH4
SCHEMBL3479673 0.80 SLC6A2 (0.47) DRD2DRD3KCNH2SLC6A2SLC6A4

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 DRD2 5/4885DRD3 12/4885KCNH2 537/4885

“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.