SCHEMBL3477064

SCHEMBL3477064

CN1CCC(Oc2cccc(F)c2)c2ccc(-c3cccc(N)n3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
NOS1 P29475 3/20 0.38
NOS3 P29474 2/20 0.38
SCN9A Q15858 2/20 0.38
NOS2 P35228 1/20 0.38
HTR2C P28335 1/20 0.38
SSTR4 P31391 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
KMT2A Q03164 1/20 0.35
TDO2 P48775 1/20 0.34
DYRK1A Q13627 1/20 0.34
CACNA2D1 P54289 2/20 0.33
GFRA3 O60609 1/20 0.33
RET P07949 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL3081614 0.93 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4NOS1NOS3
SCHEMBL3476093 0.91 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4NOS1NOS3
SCHEMBL3087994 0.89 NOS1 (0.40) SLC6A2SLC6A3SLC6A4NOS1NOS3
SCHEMBL3076605 0.88 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4HTR2CSSTR4
SCHEMBL3086264 0.85 GSK3B (0.41) SLC6A2SLC6A3SLC6A4SCN9AHTR2C
SCHEMBL3476770 0.85 NOS1 (0.42) SLC6A2SLC6A3SLC6A4NOS1NOS3
SCHEMBL3076011 0.85 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4HTR2CSSTR4
SCHEMBL3073049 0.82 SSTR4 (0.40) SLC6A2SLC6A3SLC6A4HTR2CSSTR4
SCHEMBL3093770 0.82 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4HTR2CSSTR4
SCHEMBL3079581 0.82 ROCK2 (0.42) HTR2CSSTR4HRH3TDO2DYRK1A

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 2 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

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 SLC6A2 10/4885SLC6A3 13/4885SLC6A4 16/4885

“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.