SCHEMBL3086667

SCHEMBL3086667

O=c1cccnn1-c1ccc2c(c1)CNCCC2Oc1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
HRH3 Q9Y5N1 4/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM5A P29375 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM5B Q9UGL1 2/20 0.32
HTR2C P28335 1/20 0.32
P2RX7 Q99572 1/20 0.32
MAPK14 Q16539 1/20 0.32
KCNH2 Q12809 1/20 0.32
GPR52 Q9Y2T5 1/20 0.31
F10 P00742 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
SCHEMBL3081649 0.82 HRH3 (0.40) SLC6A2SLC6A4SLC6A3HRH3CA12
SCHEMBL3079672 0.79 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3084774 0.69 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3MAPK14
SCHEMBL3094558 0.67 CA12 (0.50) SLC6A2SLC6A4SLC6A3HRH3CA12
SCHEMBL748626 0.65 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL3080416 0.65 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL3088223 0.65 MCHR1 (0.36) SLC6A2SLC6A4SLC6A3P2RX7F10
SCHEMBL29488639 0.64 CA12 (0.47) SLC6A2SLC6A4SLC6A3HRH3CA12
SCHEMBL29151055 0.63 CA1 (0.60) HRH3CA12CA1CA2CA9
SCHEMBL3479590 0.61 HRH3 (0.40) SLC6A2SLC6A4SLC6A3HRH3CA12

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 5 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 claimed
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.