SCHEMBL3479784

SCHEMBL3479784

CN1CCN(c2ccc3c(F)cccc3c2)c2ccc(-c3cccc(=O)[nH]3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.42
CSNK1D P48730 1/20 0.35
MAPK14 Q16539 1/20 0.35
PTGER3 P43115 14/20 0.35
HRH4 Q9H3N8 2/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL3479665 0.91 SCN9A (0.40) SCN9APTGER3HRH4PDGFRBFGFR1
SCHEMBL3228368 0.88 SCN9A (0.43) SCN9A
SCHEMBL3235735 0.85 SCN9A (0.46) SCN9AHRH4
SCHEMBL3224788 0.84 SCN9A (0.42) SCN9A
SCHEMBL3226569 0.83 SCN9A (0.38) SCN9APTGER3HRH4
SCHEMBL3479414 0.83 SCN9A (0.46) SCN9ACSNK1DMAPK14
SCHEMBL3229557 0.83 SCN9A (0.44) SCN9ACSNK1DMAPK14HRH4
SCHEMBL3239098 0.82 SCN9A (0.44) SCN9A
SCHEMBL3221492 0.81 SCN9A (0.44) SCN9AHRH4
SCHEMBL3232632 0.81 DRD2 (0.44) SCN9AHRH4

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 SCN9A 795/4885CSNK1D 1442/4885MAPK14 4357/4885

“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.