SCHEMBL3236103

SCHEMBL3236103

COc1ccc2c(c1)CN(C)CCN2c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.46
DRD5 P21918 5/20 0.46
RYR2 Q92736 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
DRD2 P14416 5/20 0.41
DRD3 P35462 4/20 0.41
DRD4 P21917 3/20 0.41
POLB P06746 1/20 0.40
SRD5A1 P18405 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL3479634 0.87 SLC6A2 (0.46) DRD1DRD5RYR2SLC6A2SLC6A4
SCHEMBL3235467 0.87 L3MBTL1 (0.46) DRD1DRD5RYR2SLC6A2SLC6A4
SCHEMBL3229567 0.86 DRD1 (0.55) DRD1DRD5RYR2SLC6A2SLC6A4
SCHEMBL3226397 0.86 DRD2 (0.46) DRD1DRD5RYR2KMT2ADRD2
SCHEMBL3225536 0.85 ALDH1A1 (0.43) KMT2AMEN1DRD2DRD3POLB
SCHEMBL3224762 0.85 SLC6A2 (0.48) DRD1DRD5RYR2SLC6A2SLC6A4
SCHEMBL3479952 0.82 POLB (0.50) KMT2AMEN1POLB
SCHEMBL3479793 0.82 DRD1 (0.46) DRD1DRD5RYR2SLC6A2SLC6A4
SCHEMBL3218294 0.81 ALDH1A1 (0.46) DRD1DRD2DRD3POLB
SCHEMBL3223749 0.81 POLB (0.42) KMT2APOLBSRD5A1

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 DRD1 6/4885DRD5 29/4885RYR2 601/4885

“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.