SCHEMBL1248829

SCHEMBL1248829

Fc1ccc(C2CCNCc3c2ccc(-c2cccnn2)c3F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 3/20 0.35
HTR1A P08908 3/20 0.35
MAPK14 Q16539 6/20 0.34
FAAH O00519 1/20 0.33
CASP6 P55212 1/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
NPY5R Q15761 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
MC4R P32245 1/20 0.30
MC3R P41968 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30

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
SCHEMBL1245922 0.93 CYP11B2 (0.35) CYP11B2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL1247823 0.90 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR1AMAPK14
SCHEMBL1248447 0.89 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL1248463 0.88 SLC6A2 (0.36) CYP11B2SLC6A2SLC6A4SLC6A3MAPK14
SCHEMBL1246095 0.87 SLC6A2 (0.39) CYP11B2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL1247685 0.87 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL1248668 0.86 SLC6A2 (0.36) CYP11B2SLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL1245938 0.84 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL1248100 0.84 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL1248691 0.83 SLC6A2 (0.39) CYP11B2SLC6A2SLC6A4SLC6A3HTR1A

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 CYP11B2 338/4885SLC6A2 80/4885SLC6A4 72/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 CYP11B2 291/4885SLC6A2 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 CYP11B2 153/4885SLC6A2 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 CYP11B2 153/4885SLC6A2 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 CYP11B2 153/4885SLC6A2 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.