SCHEMBL3227352

SCHEMBL3227352

CCS(=O)(=O)N1CCN(c2ccc3c(c2)CN(C)CCN3c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 2/20 0.45
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
MAPT P10636 5/20 0.41
PTPN11 Q06124 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.41
ALOX12 P18054 2/20 0.41
ALDH1A1 P00352 1/20 0.41
BCL2 P10415 1/20 0.41
BID P55957 1/20 0.41
RAD51 Q06609 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BCL2A1 Q16548 1/20 0.41
BCL2L2 Q92843 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3233345 0.89 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL3480071 0.89 MAPT (0.50) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL3479693 0.86 DRD3 (0.48) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL3229545 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL3231425 0.85 MMP13 (0.47) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL3232084 0.84 HTR3A (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL3225754 0.84 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL3217087 0.82 MAPT (0.49) SLC6A2SLC6A4MAPTMAPK1HTT
SCHEMBL3230352 0.81 MAPT (0.45) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL3479712 0.81 ADRB1 (0.59) THRBSLC6A2SLC6A4SLC6A3TMEM97

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 THRB 251/4885SLC6A2 28/4885SLC6A4 40/4885

“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.