SCHEMBL1248841

SCHEMBL1248841

CN1CCC(c2cc3ccccc3s2)c2ccc(-c3cnccn3)cc2C1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.83
SLC6A3 Q01959 12/20 0.83
SLC6A4 P31645 12/20 0.83
DYRK1A Q13627 4/20 0.39
GSK3B P49841 3/20 0.39
DRD2 P14416 1/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CYP17A1 P05093 1/20 0.33

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
SCHEMBL4306474 0.91 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL1248190 0.85 SLC6A4 (0.81) SLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1248047 0.84 SLC6A2 (0.82) SLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1246253 0.82 SLC6A4 (0.58) SLC6A2SLC6A3SLC6A4DYRK1AGSK3B
SCHEMBL1248686 0.82 SLC6A2 (0.62) SLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1247519 0.81 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1249183 0.79 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1247462 0.79 SLC6A3 (0.59) SLC6A2SLC6A3SLC6A4DYRK1AGSK3B
SCHEMBL1246131 0.78 SLC6A4 (0.77) SLC6A2SLC6A3SLC6A4DRD2
SCHEMBL4305852 0.77 SLC6A2 (0.76) SLC6A2SLC6A3SLC6A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904069-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2018-06-13 EP disclosed
US-9403776-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2016-08-02 US disclosed
US-20140296514-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2014-10-02 US disclosed
US-8791101-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-29 US disclosed
US-7956050-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2011-06-07 US disclosed
US-20110046114-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2011-02-24 US disclosed
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-05-07 US disclosed
US-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders AMR TECHNOLOGY, INC. (US) 2008-08-28 US disclosed
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse AMR TECHNOLOGY, INC. (US) 2007-01-25 US 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 (5 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-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders OPRL1, HTR1B, HTR3C SLC6A2 80/4885SLC6A3 46/4885SLC6A4 72/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 SLC6A2 185/4885SLC6A3 98/4885SLC6A4 136/4885
US-20140296514-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B SLC6A2 10/4885SLC6A3 17/4885SLC6A4 27/4885
US-20110046114-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B SLC6A2 10/4885SLC6A3 17/4885SLC6A4 27/4885
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B SLC6A2 10/4885SLC6A3 17/4885SLC6A4 27/4885

“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.