SCHEMBL10145593

SCHEMBL10145593

C[C@H]1CCN[C@H](COc2cc(C(F)(F)F)ccn2)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
LTA4H P09960 1/20 0.39
MAPK1 P28482 1/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL10144800 0.83 CHRNA3 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL607998 0.78 NPC1 (0.35) CHRNB2CHRNA4LTA4HMAPK1
SCHEMBL10144801 0.78 CHRNA3 (0.37) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL29202395 0.75 MAPK1 (0.52) MAPK1
Hydrochloric Acid SCHEMBL29912993 0.74 MAPK1 (0.51) MAPK1
SCHEMBL4283292 0.72 SCN9A (0.44)
SCHEMBL13705104 0.71 SCN9A (0.43) MAPK1
SCHEMBL10145368 0.70 CHRNA3 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL16204780 0.69 HCRTR1 (0.46) MAPK1
SCHEMBL10144795 0.69 SYK (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 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-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R CHRNB2 120/4885CHRNA4 69/4885LTA4H 725/4885

“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.