SCHEMBL3077159

SCHEMBL3077159

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.42
HTR2A P28223 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
SLC6A4 P31645 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SLC9A3 P48764 4/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 1/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
EPHX2 P34913 1/20 0.38
HTR6 P50406 1/20 0.38
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL3070174 0.90 PRMT5 (0.45) HTR2CHTR2APRMT5WDR77SLC6A4
SCHEMBL3077554 0.88 HTR2A (0.42) HTR2CHTR2APRMT5WDR77SLC6A4
SCHEMBL3081733 0.84 HTR2C (0.40) HTR2CHTR2APRMT5WDR77SLC6A4
SCHEMBL3089358 0.84 SLC9A3 (0.44) HTR2CHTR2ASLC6A4HRH3SLC9A3
SCHEMBL3095137 0.84 SLC6A4 (0.41) HTR2CHTR2APRMT5WDR77SLC6A4
SCHEMBL3079163 0.82 SLC6A4 (0.43) HTR2CHTR2APRMT5WDR77SLC6A4
SCHEMBL3077908 0.81 MEN1 (0.39) SLC6A4HRH3FPR2PROKR1
SCHEMBL3069530 0.80 ROCK2 (0.42)
SCHEMBL3079430 0.80 HTR2C (0.39) HTR2CHTR2APRMT5WDR77SLC6A4
SCHEMBL3087994 0.78 NOS1 (0.40) HTR2ASLC6A4HRH3SLC6A2SLC6A3

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 HTR2C 19/4885HTR2A 28/4885PRMT5 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.