SCHEMBL5457820

SCHEMBL5457820

CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(c1ccccc1)N1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.70
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
OPRK1 P41145 1/20 0.46
TACR3 P29371 1/20 0.46

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
SCHEMBL5459971 0.92 TACR1 (0.65) TACR1SCN5ASCN9ATACR3
SCHEMBL5457103 0.90 TACR1 (0.56) TACR1SCN5ASCN9A
SCHEMBL5460696 0.90 TACR1 (0.59) TACR1SCN5ASCN9AOPRK1
Figopitant SCHEMBL21955647 0.88 TACR1 (0.59) TACR1SCN5ASCN9ATACR3
Figopitant SCHEMBL226054 0.88 TACR1 (0.59) TACR1SCN5ASCN9ATACR3
SCHEMBL5460608 0.87 TACR1 (0.56) TACR1OPRK1
SCHEMBL3475643 0.87 TACR1 (0.58) TACR1SCN5ASCN9ATACR3
SCHEMBL6836750 0.87 TACR1 (0.58) TACR1SCN5ASCN9ATACR3
SCHEMBL5455442 0.86 TACR1 (0.54) TACR1
SCHEMBL3475829 0.86 TACR1 (0.57) TACR1SCN5ASCN9ATACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2007-08-30 US disclosed
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2007-08-30 US disclosed
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2007-08-30 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-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors TPH1, NTSR1, HTR1D TACR1 68/4885SCN5A 1603/4885SCN9A 971/4885

“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.