SCHEMBL3081707

SCHEMBL3081707

CN1CCC(Oc2cc(F)cc(F)c2)c2ccc(-c3cn[nH]c3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.42
ROCK2 O75116 15/20 0.40
TDO2 P48775 1/20 0.37
ROCK1 Q13464 2/20 0.37
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDC42BPA Q5VT25 2/20 0.36

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
SCHEMBL3079581 0.92 ROCK2 (0.42) MAP4K1ROCK2TDO2ROCK1DYRK1A
SCHEMBL3090257 0.92 MAP4K1 (0.42) MAP4K1ROCK2TDO2ROCK1DYRK1A
SCHEMBL3076487 0.88 ROCK2 (0.53) MAP4K1ROCK2ROCK1CDC42BPA
SCHEMBL3076880 0.85 DRD2 (0.44) TDO2WNT1DYRK1A
SCHEMBL3087454 0.84 ROCK2 (0.43) MAP4K1ROCK2ROCK1
SCHEMBL3069530 0.84 ROCK2 (0.42) MAP4K1ROCK2ROCK1CDC42BPA
SCHEMBL3076980 0.82 SLC6A2 (0.47) TDO2DYRK1A
SCHEMBL3088500 0.81 KMT2A (0.35) TDO2DYRK1A
SCHEMBL3477272 0.81 HRH3 (0.40) WNT1DYRK1A
SCHEMBL3086594 0.80 HRH3 (0.44)

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 MAP4K1 3408/4885ROCK2 2145/4885TDO2 106/4885

“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.