SCHEMBL3083522

SCHEMBL3083522

CN1CCC(Oc2ccc(F)cc2)c2ccc(-c3ncccn3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 5/20 0.36
GHSR Q92847 5/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
TDO2 P48775 1/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
KDM1A O60341 1/20 0.36
HTR1F P30939 1/20 0.36
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35
HTR1B P28222 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL3088500 0.92 KMT2A (0.35) KMT2ACHRM2GHSRCYP3A4HTR2B
SCHEMBL3073049 0.91 SSTR4 (0.40) KMT2ATDO2SLC6A2SLC6A4SLC6A3
SCHEMBL3083180 0.90 GFRA3 (0.39) SMN1; SMN2CHRM2GHSRCYP3A4HTR2B
SCHEMBL3081668 0.89 GSK3B (0.41) KMT2AMAPTSMN1; SMN2KCNH2TDO2
SCHEMBL3093435 0.86 SSTR4 (0.37) KMT2AMAPTCHRM2GHSRCYP3A4
SCHEMBL3077908 0.84 MEN1 (0.39) KMT2ASMN1; SMN2SLC6A4
SCHEMBL3084823 0.84 SLC6A2 (0.47) KMT2AMAPTSMN1; SMN2TDO2DRD2
SCHEMBL3071510 0.84 SLC6A2 (0.50) TDO2DRD2HTR1FHTR1ASLC6A2
SCHEMBL3083463 0.83 DRD2 (0.48) MAPTSMN1; SMN2TDO2DRD2HTR1B
SCHEMBL3074623 0.82 SSTR4 (0.37) CHRM2GHSRCYP3A4HTR2BKCNH2

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 KMT2A 1617/4885MAPT 1919/4885SMN1; SMN2 3638/4885

“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.