SCHEMBL3476093

SCHEMBL3476093

CN1CCC(Oc2ccc(F)cc2)c2ccc(-c3cccc(N)n3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
SCN9A Q15858 8/20 0.39
NOS1 P29475 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
OPRM1 P35372 1/20 0.37
CACNA2D1 P54289 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK14 Q16539 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
SCHEMBL3081614 0.92 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4SCN9ANOS1
SCHEMBL3477064 0.91 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4SCN9ANOS1
SCHEMBL3476770 0.87 NOS1 (0.42) SLC6A2SLC6A3SLC6A4SCN9ANOS1
SCHEMBL3081775 0.86 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4L3MBTL1TDO2
SCHEMBL3087994 0.85 NOS1 (0.40) SLC6A2SLC6A3SLC6A4SCN9ANOS1
SCHEMBL3081668 0.85 GSK3B (0.41) SLC6A2SLC6A3SLC6A4SCN9ATDO2
SCHEMBL3071510 0.84 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4SCN9AOPRM1
SCHEMBL3475116 0.83 NOS1 (0.42) SLC6A2SLC6A3SLC6A4SCN9ANOS1
SCHEMBL3083522 0.82 KMT2A (0.38) SLC6A2SLC6A3SLC6A4TDO2
SCHEMBL3084823 0.80 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4TDO2

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 3 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 claimed
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.