SCHEMBL3089223

SCHEMBL3089223

CN1CCC(Oc2ccccc2Cl)c2ccc(-c3ccccc3C#N)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.43
USP30 Q70CQ3 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DRD2 P14416 2/20 0.35
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
FASN P49327 1/20 0.35
PDCD1 Q15116 5/20 0.34
CD274 Q9NZQ7 5/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL3069196 0.89 USP30 (0.40) HSD17B3USP30KDM4EALDH1A1CYP1A2
SCHEMBL3084325 0.86 SLC6A2 (0.43) HSD17B3USP30KDM4EALDH1A1CYP1A2
SCHEMBL3088842 0.86 HSD17B3 (0.46) HSD17B3USP30KDM4EALDH1A1CYP1A2
SCHEMBL3259920 0.85 USP30 (0.40) HSD17B3USP30KDM4EALDH1A1CYP1A2
SCHEMBL3075363 0.83 HSD17B3 (0.41) HSD17B3USP30KDM4EALDH1A1CYP1A2
SCHEMBL3076176 0.82 SLC6A2 (0.42) HSD17B3USP30KDM4EALDH1A1CYP1A2
SCHEMBL3074623 0.80 SSTR4 (0.37) CYP3A4SLC6A2SLC6A4SLC6A3SSTR4
SCHEMBL3079877 0.79 SLC6A2 (0.45) PRMT5WDR77SLC6A2SLC6A4SLC6A3
SCHEMBL3096061 0.78 GSK3B (0.43) PRMT5WDR77SLC6A2SLC6A4SLC6A3
SCHEMBL3081733 0.78 HTR2C (0.40) USP30ALDH1A1PRMT5WDR77SLC6A2

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 HSD17B3 324/4885USP30 4300/4885KDM4E 764/4885

“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.