SCHEMBL3476770

SCHEMBL3476770

CN1CCC(Oc2ccccc2F)c2ccc(-c3cccc(N)n3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.42
NOS3 P29474 7/20 0.42
NOS2 P35228 4/20 0.42
SLC6A2 P23975 6/20 0.39
SLC6A3 Q01959 6/20 0.39
SLC6A4 P31645 5/20 0.39
SCN9A Q15858 1/20 0.38
MAP4K1 Q92918 1/20 0.35
SSTR4 P31391 1/20 0.35
OPRM1 P35372 1/20 0.33
CACNA2D1 P54289 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL3475116 0.89 NOS1 (0.42) NOS1NOS3NOS2SLC6A2SLC6A3
SCHEMBL3073906 0.88 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4SCN9AMAP4K1
SCHEMBL3476093 0.87 SLC6A2 (0.39) NOS1NOS3NOS2SLC6A2SLC6A3
SCHEMBL3086267 0.86 GSK3B (0.41) SLC6A2SLC6A3SLC6A4SCN9AMAP4K1
SCHEMBL3081614 0.85 SLC6A2 (0.39) NOS1NOS3NOS2SLC6A2SLC6A3
SCHEMBL3477064 0.85 SLC6A2 (0.39) NOS1NOS3NOS2SLC6A2SLC6A3
SCHEMBL3073915 0.85 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4MAP4K1SSTR4
SCHEMBL3093435 0.82 SSTR4 (0.37) SLC6A2SLC6A3SLC6A4MAP4K1SSTR4
SCHEMBL3076948 0.82 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4MAP4K1SSTR4
SCHEMBL3087454 0.82 ROCK2 (0.43) MAP4K1

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 NOS1 1895/4885NOS3 1519/4885NOS2 1754/4885

“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.