SCHEMBL3089358

SCHEMBL3089358

CN1CCC(Oc2ccc(F)cc2)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 6/20 0.44
SLC6A4 P31645 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MCHR1 Q99705 8/20 0.41
PTGS2 P35354 2/20 0.40
PAX8 Q06710 1/20 0.40
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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) SLC9A3SLC6A4HRH3HTR2AHTR2C
SCHEMBL3077554 0.90 HTR2A (0.42) SLC9A3SLC6A4HRH3HTR2AHTR2C
SCHEMBL3070174 0.90 PRMT5 (0.45) SLC9A3SLC6A4HRH3HTR2AHTR2C
SCHEMBL3079430 0.86 HTR2C (0.39) SLC9A3SLC6A4HRH3HTR2AHTR2C
SCHEMBL3077159 0.84 HTR2C (0.42) SLC9A3SLC6A4HRH3HTR2AHTR2C
SCHEMBL3081733 0.82 HTR2C (0.40) SLC9A3SLC6A4HRH3HTR2AHTR2C
SCHEMBL3083463 0.81 DRD2 (0.48) SLC6A4L3MBTL1
SCHEMBL3090257 0.80 MAP4K1 (0.42)
SCHEMBL3083522 0.79 KMT2A (0.38) SLC6A4HTR2A
SCHEMBL3069862 0.78 SLC6A4 (0.39) SLC6A4HTR2C

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 SLC9A3 565/4885SLC6A4 16/4885HRH3 212/4885

“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.