SCHEMBL1249149

SCHEMBL1249149

Fc1ccc(C2CCNCc3cc(Oc4ccccn4)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
SLC6A2 P23975 11/20 0.38
SLC6A4 P31645 11/20 0.38
SLC6A3 Q01959 9/20 0.38
HTR1A P08908 6/20 0.38
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CYP17A1 P05093 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
SCN9A Q15858 1/20 0.34
GRK2 P25098 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
SCHEMBL1246537 0.88 SLC6A2 (0.40) HRH3SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL1247013 0.87 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR1ACCNT1
SCHEMBL1246361 0.86 HRH3 (0.42) HRH3SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL1247181 0.80 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3HTR1ACYP17A1
SCHEMBL1247296 0.80 HRH3 (0.47) HRH3SLC6A2SLC6A4SLC6A3FFAR4
SCHEMBL1247142 0.75 SLC6A2 (0.41) HRH3SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL1245916 0.74 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL1245595 0.71 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL1248878 0.70 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3CYP17A1CYP3A4
SCHEMBL1248260 0.69 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR1A

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 11 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
EP-1904069-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2008-04-02 EP disclosed
WO-2007011820-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2007-01-25 WO 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 HRH3 591/4885SLC6A2 80/4885SLC6A4 72/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 HRH3 911/4885SLC6A2 185/4885SLC6A4 136/4885
US-20140296514-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B HRH3 154/4885SLC6A2 10/4885SLC6A4 27/4885
US-20110046114-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B HRH3 154/4885SLC6A2 10/4885SLC6A4 27/4885
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B HRH3 154/4885SLC6A2 10/4885SLC6A4 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.