SCHEMBL3093435

SCHEMBL3093435

CN1CCC(Oc2ccccc2F)c2ccc(-c3ncccn3)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.37
MAP4K1 Q92918 1/20 0.37
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 2/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
HTR1A P08908 1/20 0.34
MAPT P10636 1/20 0.34
CHRM2 P08172 3/20 0.34
GHSR Q92847 3/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
EGFR P00533 1/20 0.34
FFAR1 O14842 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL3086267 0.90 GSK3B (0.41) SSTR4MAP4K1SLC6A2SLC6A4SLC6A3
SCHEMBL3074623 0.88 SSTR4 (0.37) SSTR4SLC6A2SLC6A4SLC6A3SCN1A
SCHEMBL3083522 0.86 KMT2A (0.38) KMT2ASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3076948 0.85 SLC6A2 (0.50) SSTR4MAP4K1KMT2ASLC6A2SLC6A4
SCHEMBL3083180 0.85 GFRA3 (0.39) SLC6A2SLC6A4SLC6A3SCN1ASCN2A
SCHEMBL3099039 0.84 SLC6A4 (0.47) SSTR4MAP4K1SLC6A2SLC6A4SLC6A3
SCHEMBL3088500 0.84 KMT2A (0.35) SSTR4KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL3073915 0.84 SLC6A2 (0.49) SSTR4MAP4K1SLC6A2SLC6A4SLC6A3
SCHEMBL3073049 0.83 SSTR4 (0.40) SSTR4KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL3087454 0.83 ROCK2 (0.43) MAP4K1

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-8987252-B2 Aryloxy- and heteroaryloxy-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-24 US disclosed
US-20100210624-A1 ARYLOXY- AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-19 US disclosed
EP-2146720-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 EP disclosed
WO-2008141082-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES 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-20100210624-A1 ARYLOXY- AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, HTR2B, ADRA1B SSTR4 347/4885MAP4K1 3408/4885KMT2A 1617/4885

“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.