SCHEMBL3073049

SCHEMBL3073049

CN1CCC(Oc2cccc(F)c2)c2ccc(-c3ncccn3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.40
KMT2A Q03164 1/20 0.39
HTR2C P28335 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
GFRA3 O60609 1/20 0.37
RET P07949 1/20 0.37
TDO2 P48775 1/20 0.36
EGFR P00533 2/20 0.35
BTK Q06187 2/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
FFAR1 O14842 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
USP2 O75604 1/20 0.35
TNK2 Q07912 1/20 0.35

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
SCHEMBL3088500 0.93 KMT2A (0.35) SSTR4KMT2ATDO2DYRK1ACLK4
SCHEMBL3083522 0.91 KMT2A (0.38) KMT2ATDO2SLC6A2SLC6A4SLC6A3
SCHEMBL3083180 0.89 GFRA3 (0.39) HRH3GFRA3RETBTKDYRK1A
SCHEMBL3086264 0.89 GSK3B (0.41) SSTR4KMT2AHTR2CGFRA3RET
SCHEMBL3077908 0.88 MEN1 (0.39) KMT2AHRH3GFRA3RETEGFR
SCHEMBL3093770 0.85 SLC6A2 (0.48) SSTR4KMT2AHTR2CHRH3GFRA3
SCHEMBL3069782 0.84 SLC6A2 (0.45) SSTR4KMT2AHTR2CHRH3GFRA3
SCHEMBL3076011 0.84 SLC6A2 (0.49) SSTR4KMT2AHTR2CHRH3GFRA3
SCHEMBL3093435 0.83 SSTR4 (0.37) SSTR4KMT2ATDO2EGFRFFAR1
SCHEMBL3079581 0.83 ROCK2 (0.42) SSTR4HTR2CHRH3GFRA3RET

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 347/4885KMT2A 1617/4885HTR2C 19/4885

“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.