SCHEMBL3479634

SCHEMBL3479634

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
DRD1 P21728 5/20 0.44
DRD5 P21918 4/20 0.44
RYR2 Q92736 1/20 0.44
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
BCL2A1 Q16548 1/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
DRD4 P21917 1/20 0.39
HTR7 P34969 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
SCHEMBL3236103 0.87 DRD1 (0.46) SLC6A2SLC6A4DRD1DRD5RYR2
SCHEMBL3479745 0.86 SLC6A2 (0.43) SLC6A2SLC6A4HTR1DHTR1BBCL2A1
SCHEMBL3226397 0.84 DRD2 (0.46) DRD1DRD5RYR2DRD2DRD3
SCHEMBL3480071 0.83 MAPT (0.50) SLC6A2SLC6A4BCL2A1KDM4EL3MBTL1
SCHEMBL3224762 0.82 SLC6A2 (0.48) SLC6A2SLC6A4DRD1DRD5RYR2
SCHEMBL3479751 0.82 SLC6A2 (0.48) SLC6A2SLC6A4BCL2A1DRD2DRD3
SCHEMBL3235467 0.82 L3MBTL1 (0.46) SLC6A2SLC6A4DRD1DRD5RYR2
SCHEMBL3227337 0.82 SLC6A2 (0.48) SLC6A2SLC6A4BCL2A1DRD2DRD3
SCHEMBL3229567 0.82 DRD1 (0.55) SLC6A2SLC6A4DRD1DRD5RYR2
SCHEMBL3221248 0.81 DRD1 (0.51) SLC6A2SLC6A4DRD1DRD5RYR2

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 SLC6A2 28/4885SLC6A4 40/4885DRD1 6/4885

“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.