SCHEMBL3070174

SCHEMBL3070174

CN1CCC(Oc2ccccc2)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC9A3 P48764 4/20 0.43
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
PTK2 Q05397 2/20 0.40
PTGS2 P35354 2/20 0.39
USP30 Q70CQ3 1/20 0.39
LRRK2 Q5S007 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
GFRA3 O60609 1/20 0.37
RET P07949 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
SCHEMBL3077159 0.90 HTR2C (0.42) PRMT5WDR77HTR2AHTR2CSLC9A3
SCHEMBL3077554 0.90 HTR2A (0.42) PRMT5WDR77HTR2AHTR2CSLC9A3
SCHEMBL3089358 0.90 SLC9A3 (0.44) HTR2AHTR2CSLC9A3SLC6A4HRH3
SCHEMBL3095137 0.88 SLC6A4 (0.41) PRMT5WDR77HTR2AHTR2CSLC9A3
SCHEMBL3079430 0.86 HTR2C (0.39) PRMT5WDR77HTR2AHTR2CSLC9A3
SCHEMBL3081733 0.86 HTR2C (0.40) PRMT5WDR77HTR2AHTR2CSLC9A3
SCHEMBL3075982 0.83 SCN1A (0.45) PRMT5WDR77GFRA3RETSCN1A
SCHEMBL1245667 0.81 SLC6A4 (0.46) HTR2AHTR2CSLC6A4HRH3JAK2
SCHEMBL3088673 0.79 SLC6A4 (0.56) SLC6A4HRH3
SCHEMBL3083180 0.79 GFRA3 (0.39) SLC6A4HRH3SMN1; SMN2CYP3A4GFRA3

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 5 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
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 PRMT5 1731/4885WDR77 3161/4885HTR2A 28/4885

“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.