SCHEMBL3479707

SCHEMBL3479707

CN1CCN(c2ccc3c(F)cccc3c2)c2ccc(-n3ccccc3=O)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.39
SCN9A Q15858 2/20 0.38
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
WEE1 P30291 1/20 0.34
F10 P00742 5/20 0.33
CSNK1D P48730 1/20 0.33
MAPK14 Q16539 1/20 0.33
TRPV4 Q9HBA0 3/20 0.33
HTR3A P46098 1/20 0.33
MCHR1 Q99705 3/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL3479718 0.91 HRH4 (0.40) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3228568 0.87 HTR3A (0.46) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479624 0.86 HRH4 (0.41) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3222466 0.84 HRH3 (0.39) SCN9ASLC6A2SLC6A4SLC6A3WEE1
SCHEMBL3232012 0.83 HTR3A (0.40) HRH4SCN9ASLC6A2SLC6A4WEE1
SCHEMBL3234584 0.82 HRH4 (0.41) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479568 0.82 HRH4 (0.40) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479641 0.82 HRH4 (0.44) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479784 0.80 SCN9A (0.42) HRH4SCN9ACSNK1DMAPK14
SCHEMBL3236956 0.80 SCN9A (0.43) HRH4SCN9ACSNK1DMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096546-B2 Aryl- and heteroaryl-substituted tetrahydrobenzo-1,4-diazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-08-04 US disclosed
US-20100137287-A1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-03 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 (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-20100137287-A1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA1B, ADRB1, ADRA1D HRH4 90/4885SCN9A 795/4885SLC6A2 28/4885

“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.