SCHEMBL3226497

SCHEMBL3226497

CN1CCN(c2ccc(Cl)cc2)c2ccc(N3CCCC3=O)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
F10 P00742 3/20 0.41
AKR1C3 P42330 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL3229412 0.96 SLC6A2 (0.46) HPGDSLC6A2SLC6A4MEN1KMT2A
SCHEMBL3230187 0.89 SLC6A2 (0.62) HPGDSLC6A2SLC6A4MEN1KMT2A
SCHEMBL3214888 0.89 HPGD (0.49) HPGDSLC6A2SLC6A4MEN1KMT2A
SCHEMBL3232835 0.88 HPGD (0.48) HPGDSLC6A2SLC6A4MEN1KMT2A
SCHEMBL3225683 0.87 HPGD (0.44) HPGDSLC6A2SLC6A4MEN1KMT2A
SCHEMBL3229318 0.86 SLC6A2 (0.60) HPGDSLC6A2SLC6A4MEN1KMT2A
SCHEMBL3229829 0.86 HPGD (0.45) HPGDSLC6A2SLC6A4MEN1KMT2A
SCHEMBL3225384 0.85 HPGD (0.44) HPGDSLC6A2SLC6A4MEN1KMT2A
SCHEMBL3235390 0.85 HPGD (0.44) HPGDSLC6A2SLC6A4MEN1KMT2A
SCHEMBL3225721 0.84 BRD9 (0.41) HPGDSLC6A2SLC6A4MEN1KMT2A

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 HPGD 2009/4885SLC6A2 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.