SCHEMBL3225384

SCHEMBL3225384

CN1CCN(c2ccc(F)cc2)c2ccc(N3CCCCC3=O)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
MCHR1 Q99705 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
F10 P00742 1/20 0.39
TP53 P04637 2/20 0.39
HTR1A P08908 2/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3232835 0.96 HPGD (0.48) HPGDLMNAUSP2MCHR1SLC6A2
SCHEMBL3239547 0.92 BRD9 (0.41) HPGDLMNAUSP2BRD9MCHR1
SCHEMBL3233730 0.90 CA12 (0.40) HPGDLMNAUSP2BRD9MCHR1
SCHEMBL3225721 0.90 BRD9 (0.41) HPGDLMNABRD9MCHR1SLC6A2
SCHEMBL3229829 0.89 HPGD (0.45) HPGDBRD9SLC6A2SLC6A4MEN1
SCHEMBL3229412 0.88 SLC6A2 (0.46) HPGDLMNABRD9SLC6A2SLC6A4
SCHEMBL3235390 0.88 HPGD (0.44) HPGDLMNABRD9MCHR1SLC6A2
SCHEMBL3221278 0.86 HPGD (0.43) HPGDLMNAUSP2BRD9MCHR1
SCHEMBL3225683 0.86 HPGD (0.44) HPGDBRD9SLC6A2SLC6A4MEN1
SCHEMBL3214888 0.86 HPGD (0.49) 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 2009/4885LMNA 3262/4885USP2 4162/4885

“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.