SCHEMBL3477321

SCHEMBL3477321

CN1CCC(Oc2cccc(F)c2)c2ccc(-c3ccc4ncnn4c3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 6/20 0.40
SLC6A3 Q01959 6/20 0.40
TGFBR1 P36897 4/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SCN5A Q14524 1/20 0.38
SSTR4 P31391 1/20 0.36
JAK2 O60674 1/20 0.35
GFRA3 O60609 1/20 0.35
RET P07949 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPK14 Q16539 1/20 0.35
SCD O00767 1/20 0.35

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
SCHEMBL3477497 0.93 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TGFBR1TLR9
SCHEMBL3074668 0.91 SCN5A (0.41) SLC6A2SLC6A4SLC6A3TGFBR1TLR9
SCHEMBL3477802 0.91 TGFBR1 (0.40) SLC6A2SLC6A4SLC6A3TGFBR1TLR9
SCHEMBL3477312 0.89 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3TGFBR1TLR9
SCHEMBL3475127 0.85 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TGFBR1TLR9
SCHEMBL3476689 0.83 SCN5A (0.37) SLC6A2SLC6A4SLC6A3SCN5ASSTR4
SCHEMBL3069782 0.83 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3SSTR4GFRA3
SCHEMBL3476763 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TGFBR1TLR9
SCHEMBL3073049 0.82 SSTR4 (0.40) SLC6A2SLC6A4SLC6A3SSTR4GFRA3
SCHEMBL3086264 0.79 GSK3B (0.41) SLC6A2SLC6A4SLC6A3SSTR4GFRA3

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 10/4885SLC6A4 16/4885SLC6A3 13/4885

“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.