SCHEMBL5459971

SCHEMBL5459971

CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(c1ccccc1)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.65
TACR3 P29371 3/20 0.54
CCR2 P41597 1/20 0.46
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5457820 0.92 TACR1 (0.70) TACR1TACR3SCN5ASCN9A
SCHEMBL5462101 0.91 TACR1 (0.53) TACR1TACR3CCR2SCN5ASCN9A
SCHEMBL5182612 0.88 TACR1 (0.52) TACR1TACR3ALDH1A1
Figopitant SCHEMBL21955647 0.84 TACR1 (0.59) TACR1TACR3SCN5ASCN9A
Figopitant SCHEMBL226054 0.84 TACR1 (0.59) TACR1TACR3SCN5ASCN9A
SCHEMBL6836750 0.83 TACR1 (0.58) TACR1TACR3SCN5ASCN9A
SCHEMBL3475643 0.83 TACR1 (0.58) TACR1TACR3SCN5ASCN9A
SCHEMBL5457103 0.82 TACR1 (0.56) TACR1CCR2SCN5ASCN9A
SCHEMBL6836873 0.82 TACR1 (0.57) TACR1TACR3CCR2SCN5ASCN9A
SCHEMBL3475829 0.82 TACR1 (0.57) TACR1TACR3CCR2SCN5ASCN9A

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 68/4885TACR3 537/4885CCR2 2500/4885

“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.