SCHEMBL3226397

SCHEMBL3226397

COc1ccc2c(c1)CN(C)CCN2c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
DRD3 P35462 5/20 0.46
KCNH2 Q12809 4/20 0.46
DRD1 P21728 4/20 0.46
DRD5 P21918 3/20 0.46
ALDH1A1 P00352 2/20 0.43
RYR2 Q92736 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.42
DRD4 P21917 1/20 0.41

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
SCHEMBL3229962 0.86 KCNH2 (0.45) DRD2DRD3KCNH2ALDH1A1DRD4
SCHEMBL3236103 0.86 DRD1 (0.46) DRD2DRD3DRD1DRD5RYR2
SCHEMBL3229567 0.86 DRD1 (0.55) DRD2DRD3DRD1DRD5RYR2
SCHEMBL3230863 0.85 DRD1 (0.46) DRD2DRD3DRD1DRD5RYR2
SCHEMBL3479634 0.84 SLC6A2 (0.46) DRD2DRD3KCNH2DRD1DRD5
SCHEMBL3225923 0.82 DRD2 (0.48) DRD2DRD3KCNH2ALDH1A1MAPT
SCHEMBL3232660 0.82 DRD2 (0.52) DRD2DRD3KCNH2ALDH1A1MAPT
SCHEMBL3224762 0.81 SLC6A2 (0.48) DRD2DRD3DRD1DRD5RYR2
SCHEMBL3221248 0.80 DRD1 (0.51) DRD2DRD3DRD1DRD5RYR2
SCHEMBL3226629 0.80 DRD2 (0.46) DRD2DRD3KCNH2DRD1ALDH1A1

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.