SCHEMBL3095137

SCHEMBL3095137

CN1CCC(Oc2cc(F)cc(F)c2)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PTGS2 P35354 4/20 0.40
PTGS1 P23219 3/20 0.40
SLC9A3 P48764 4/20 0.38
USP30 Q70CQ3 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
JAK2 O60674 4/20 0.37
JAK3 P52333 4/20 0.37
PTK2 Q05397 4/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
CYP3A4 P08684 1/20 0.35
JAK1 P23458 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
SCHEMBL3077554 0.92 HTR2A (0.42) SLC6A4HRH3PTGS2PTGS1SLC9A3
SCHEMBL3089358 0.92 SLC9A3 (0.44) SLC6A4HRH3PTGS2SLC9A3HTR2A
SCHEMBL3070174 0.88 PRMT5 (0.45) SLC6A4HRH3PTGS2PTGS1SLC9A3
SCHEMBL3079430 0.84 HTR2C (0.39) SLC6A4HRH3PTGS2PTGS1SLC9A3
SCHEMBL3077159 0.84 HTR2C (0.42) SLC6A4HRH3PTGS2PTGS1SLC9A3
SCHEMBL3086594 0.82 HRH3 (0.44) SLC6A4HRH3USP30PRMT5WDR77
SCHEMBL3076880 0.81 DRD2 (0.44) SLC6A4PRMT5WDR77
SCHEMBL3081733 0.80 HTR2C (0.40) SLC6A4HRH3PTGS2SLC9A3USP30
SCHEMBL3081707 0.80 MAP4K1 (0.42)
SCHEMBL3088500 0.79 KMT2A (0.35) SLC6A4HTR2ACYP3A4

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 SLC6A4 16/4885HRH3 212/4885PTGS2 3312/4885

“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.