SCHEMBL3076176

SCHEMBL3076176

CN1CCC(Oc2cccc(F)c2)c2ccc(-c3ccccc3C#N)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HSD17B3 P37058 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
USP30 Q70CQ3 2/20 0.40
CHRM3 P20309 3/20 0.39
RET P07949 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.36
GPR6 P46095 1/20 0.36
SSTR2 P30874 3/20 0.36
SSTR4 P31391 1/20 0.36

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
SCHEMBL3075363 0.93 HSD17B3 (0.41) SLC6A2SLC6A4SLC6A3HSD17B3PRMT5
SCHEMBL3259920 0.91 USP30 (0.40) SLC6A2SLC6A4SLC6A3HSD17B3PRMT5
SCHEMBL3084325 0.91 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HSD17B3PRMT5
SCHEMBL3088842 0.89 HSD17B3 (0.46) SLC6A2SLC6A4SLC6A3HSD17B3PRMT5
SCHEMBL3069196 0.86 USP30 (0.40) SLC6A2SLC6A4SLC6A3HSD17B3PRMT5
SCHEMBL3089223 0.82 HSD17B3 (0.43) SLC6A2SLC6A4SLC6A3HSD17B3PRMT5
SCHEMBL3073049 0.79 SSTR4 (0.40) SLC6A2SLC6A4SLC6A3RETKMT2A
SCHEMBL3086264 0.79 GSK3B (0.41) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL3069782 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL3086594 0.77 HRH3 (0.44) SLC6A2SLC6A4SLC6A3HSD17B3PRMT5

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 SLC6A2 10/4885SLC6A4 16/4885SLC6A3 13/4885

“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.