SCHEMBL10144800

SCHEMBL10144800

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 3/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 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
SCHEMBL7867429 0.83 CHRNA3 (0.36) CHRNA3CHRNB2CHRNB4CHRNA7CHRNA4
SCHEMBL10145593 0.83 CHRNB2 (0.39) CHRNA3CHRNB2CHRNB4CHRNA7CHRNA4
SCHEMBL10145368 0.82 CHRNA3 (0.44) CHRNA3CHRNB2CHRNB4CHRNA7CHRNA4
SCHEMBL10121975 0.77 CHRNB2 (0.38) CHRNA3CHRNB2CHRNB4CHRNA7CHRNA4
SCHEMBL10145405 0.74 CHRNA3 (0.54) CHRNA3CHRNB2CHRNB4CHRNA7CHRNA4
SCHEMBL10144801 0.72 CHRNA3 (0.37) CHRNA3CHRNB2CHRNB4CHRNA7CHRNA4
SCHEMBL28033552 0.70 SLC6A4 (0.47)
Acetic Acid SCHEMBL27836187 0.69 ACACB (0.44)
SCHEMBL170306 0.66 MAPT (0.42)
SCHEMBL18700639 0.66 L3MBTL1 (0.34) CHRNA3CHRNB2CHRNB4CHRNA7CHRNA4

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 CHRNA3 77/4885CHRNB2 120/4885CHRNB4 96/4885

“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.