SCHEMBL3222404

SCHEMBL3222404

CN1CCN(c2ccccc2F)c2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
SLC6A2 P23975 3/20 0.43
ADRA2C P18825 1/20 0.42
SLC6A4 P31645 2/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HRH4 Q9H3N8 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
SCHEMBL3239742 0.86 ALDH1A1 (0.47) MEN1KMT2AMAOAMAOBSLC6A2
SCHEMBL3224500 0.86 SLC6A2 (0.48) MEN1KMT2AMAOAMAOBSLC6A2
SCHEMBL3479772 0.83 HTR3A (0.46) MEN1KMT2AADRA2CALDH1A1MAPT
SCHEMBL3227350 0.82 DRD1 (0.51) SLC6A2SLC6A4KDM4EDRD2DRD1
SCHEMBL3479706 0.82 SCN9A (0.45) MEN1KMT2ASLC6A2ADRA2CSLC6A4
SCHEMBL3226450 0.81 ALDH1A1 (0.39) MEN1KMT2ASLC6A2SLC6A4ALDH1A1
SCHEMBL3226803 0.81 MAOA (0.44) MAOAMAOBSLC6A2ADRA2CALDH1A1
SCHEMBL3239788 0.80 SLC6A2 (0.47) MEN1KMT2AMAOAMAOBSLC6A2
SCHEMBL3233624 0.80 DRD2 (0.47) MAOAMAOBADRA2CSLC6A4MAPT
SCHEMBL3229539 0.80 MAOA (0.43) MAOAMAOBSLC6A2ADRA2CALDH1A1

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 MEN1 1276/4885KMT2A 1229/4885MAOA 68/4885

“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.