SCHEMBL3079581

SCHEMBL3079581

CN1CCC(Oc2cccc(F)c2)c2ccc(-c3cn[nH]c3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.42
MAP4K1 Q92918 1/20 0.41
HTR2C P28335 1/20 0.38
TDO2 P48775 1/20 0.38
ROCK1 Q13464 2/20 0.38
CDC42BPA Q5VT25 1/20 0.38
DYRK1A Q13627 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
GFRA3 O60609 1/20 0.37
RET P07949 1/20 0.37
SSTR4 P31391 1/20 0.37

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
SCHEMBL3081707 0.92 MAP4K1 (0.42) ROCK2MAP4K1TDO2ROCK1CDC42BPA
SCHEMBL3090257 0.90 MAP4K1 (0.42) ROCK2MAP4K1TDO2ROCK1CDC42BPA
SCHEMBL3076487 0.90 ROCK2 (0.53) ROCK2MAP4K1ROCK1CDC42BPAGFRA3
SCHEMBL3069530 0.88 ROCK2 (0.42) ROCK2MAP4K1ROCK1CDC42BPAGFRA3
SCHEMBL3069782 0.86 SLC6A2 (0.45) HTR2CTDO2DYRK1AHRH3GFRA3
SCHEMBL3087454 0.84 ROCK2 (0.43) ROCK2MAP4K1ROCK1
SCHEMBL3073049 0.83 SSTR4 (0.40) HTR2CTDO2DYRK1AHRH3GFRA3
SCHEMBL3093770 0.83 SLC6A2 (0.48) HTR2CTDO2DYRK1AHRH3GFRA3
SCHEMBL3086264 0.82 GSK3B (0.41) HTR2CTDO2DYRK1AGFRA3RET
SCHEMBL3076011 0.82 SLC6A2 (0.49) HTR2CTDO2HRH3GFRA3RET

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 ROCK2 2145/4885MAP4K1 3408/4885HTR2C 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.