SCHEMBL3230352

SCHEMBL3230352

CN1CCN(c2ccc(Cl)c(Cl)c2)c2ccc(N3CCOCC3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALOX12 P18054 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 5/20 0.44
RAD51 Q06609 4/20 0.42
BCL2A1 Q16548 2/20 0.42
RAD1 O60671 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
SLC6A3 Q01959 3/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
LGMN Q99538 1/20 0.41
GAA P10253 1/20 0.41
TMEM97 Q5BJF2 3/20 0.41

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
SCHEMBL3480071 0.91 MAPT (0.50) MAPTLMNASMN1; SMN2ALOX12L3MBTL1
SCHEMBL3224415 0.88 SLC6A2 (0.46) MAPTSMN1; SMN2SLC6A2SLC6A4HTT
SCHEMBL3479712 0.86 ADRB1 (0.59) MAPTLMNASMN1; SMN2ALOX12L3MBTL1
SCHEMBL3226578 0.84 LMNA (0.47) MAPTLMNASLC6A2SLC6A4MEN1
SCHEMBL3228169 0.83 LGMN (0.41) MAPTLMNASLC6A2SLC6A4RAD51
SCHEMBL3237880 0.83 NPC1 (0.43) MAPTLMNASMN1; SMN2L3MBTL1SLC6A2
SCHEMBL3230691 0.82 LGMN (0.42) MAPTLMNASMN1; SMN2L3MBTL1SLC6A2
SCHEMBL3217087 0.82 MAPT (0.49) MAPTLMNASMN1; SMN2ALOX12SLC6A2
SCHEMBL3227172 0.81 SLC6A2 (0.48) MAPTLMNAALOX12SLC6A2SLC6A4
SCHEMBL3227352 0.81 THRB (0.49) MAPTLMNASMN1; SMN2ALOX12L3MBTL1

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 MAPT 2307/4885LMNA 3262/4885SMN1; SMN2 2932/4885

“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.