SCHEMBL3477802

SCHEMBL3477802

CN1CCC(Oc2ccccc2)c2ccc(-c3ccc4ncnn4c3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
SCD O00767 1/20 0.40
SLC6A2 P23975 8/20 0.40
SLC6A4 P31645 8/20 0.40
SLC6A3 Q01959 8/20 0.40
SCN5A Q14524 1/20 0.38
DYRK1A Q13627 1/20 0.37
GFRA3 O60609 1/20 0.37
RET P07949 1/20 0.37
MAPK14 Q16539 1/20 0.37
KIT P10721 1/20 0.36
FFAR1 O14842 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
SCHEMBL3477321 0.91 SLC6A2 (0.40) TGFBR1TLR9TLR8TLR7SCD
SCHEMBL3477312 0.91 SLC6A4 (0.42) TGFBR1TLR9TLR8TLR7SCD
SCHEMBL3074668 0.90 SCN5A (0.41) TGFBR1TLR9TLR8TLR7SLC6A2
SCHEMBL3477497 0.89 SLC6A2 (0.41) TGFBR1TLR9TLR8TLR7SCD
SCHEMBL3476763 0.87 SLC6A2 (0.43) TGFBR1TLR9TLR8TLR7SCD
SCHEMBL3475127 0.87 SLC6A2 (0.42) TGFBR1TLR9TLR8TLR7SCD
SCHEMBL3083180 0.80 GFRA3 (0.39) SLC6A2SLC6A4SLC6A3DYRK1AGFRA3
SCHEMBL1247123 0.78 SLC6A4 (0.43) TGFBR1TLR9TLR8TLR7SCD
SCHEMBL3076487 0.78 ROCK2 (0.53) GFRA3RET
SCHEMBL3089215 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3DYRK1AGFRA3

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 TGFBR1 893/4885TLR9 1477/4885TLR8 2465/4885

“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.