SCHEMBL3226578

SCHEMBL3226578

CN1CCN(c2ccccc2)c2ccc(N3CCOCC3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TMEM97 Q5BJF2 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
DRD4 P21917 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
LGMN Q99538 1/20 0.43
DRD3 P35462 1/20 0.42
HTR6 P50406 1/20 0.42
HTR3A P46098 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
KMO O15229 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3479777 0.91 ADRA2C (0.51) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL3237880 0.89 NPC1 (0.43) LMNATMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL3224415 0.89 SLC6A2 (0.46) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL3226172 0.85 SLC6A2 (0.44) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL3230691 0.85 LGMN (0.42) LMNATMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL3239201 0.85 ADRB1 (0.47) SIGMAR1ADRA2CHTR2BSLC6A4DRD3
SCHEMBL3230352 0.84 MAPT (0.45) LMNATMEM97SIGMAR1HTR2BSLC6A2
SCHEMBL3228169 0.84 LGMN (0.41) LMNATMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL3227983 0.81 SMN1; SMN2 (0.44) LMNASLC6A2SLC6A4SLC6A3LGMN
SCHEMBL3217484 0.81 RORC (0.51) TMEM97SIGMAR1ADRA2AADRA2BADRA2C

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 LMNA 3262/4885TMEM97 542/4885SIGMAR1 71/4885

“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.