SCHEMBL3077554

SCHEMBL3077554

CN1CCC(Oc2cccc(F)c2)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
PTGS2 P35354 5/20 0.40
PTGS1 P23219 4/20 0.40
HRH3 Q9Y5N1 2/20 0.40
SLC6A4 P31645 1/20 0.40
MCHR1 Q99705 2/20 0.39
SLC9A3 P48764 2/20 0.39
SSTR4 P31391 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR6 P50406 1/20 0.38
USP30 Q70CQ3 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL3095137 0.92 SLC6A4 (0.41) HTR2AHTR2CPRMT5WDR77PTGS2
SCHEMBL3089358 0.90 SLC9A3 (0.44) HTR2AHTR2CPTGS2HRH3SLC6A4
SCHEMBL3070174 0.90 PRMT5 (0.45) HTR2AHTR2CPRMT5WDR77PTGS2
SCHEMBL3077159 0.88 HTR2C (0.42) HTR2AHTR2CPRMT5WDR77PTGS2
SCHEMBL3079430 0.84 HTR2C (0.39) HTR2AHTR2CPRMT5WDR77PTGS2
SCHEMBL3069782 0.82 SLC6A2 (0.45) HTR2CPRMT5WDR77HRH3SLC6A4
SCHEMBL3073049 0.81 SSTR4 (0.40) HTR2CHRH3SLC6A4SSTR4KMT2A
SCHEMBL3079581 0.80 ROCK2 (0.42) HTR2CHRH3SSTR4
SCHEMBL3081733 0.80 HTR2C (0.40) HTR2AHTR2CPRMT5WDR77PTGS2
SCHEMBL3086264 0.78 GSK3B (0.41) HTR2CPRMT5WDR77SLC6A4SSTR4

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 4 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
EP-2146720-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 EP disclosed
WO-2008141082-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2008-11-20 WO 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 HTR2A 28/4885HTR2C 19/4885PRMT5 1731/4885

“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.