SCHEMBL13005174

SCHEMBL13005174

CC1(O)CC2CNCC(C2)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 0.39
CHRNA4 P43681 17/20 0.39
CHRNB4 P30926 15/20 0.39
CHRNA3 P32297 15/20 0.39
CHRNA7 P36544 13/20 0.39

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
SCHEMBL14280949 0.85 CHRNB2 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL26080215 0.81 PKM (0.39)
SCHEMBL14409119 0.76 ALDH1A1 (0.32)
SCHEMBL25164998 0.74 CCR5 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL22795906 0.74 CCR5 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25165362 0.74 CCR5 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL29596889 0.72 CCR5 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL22773673 0.72 CCR5 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25720236 0.72 TRPA1 (0.31)
SCHEMBL14553081 0.68 FUCA1 (0.30)

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
EP-1858857-B1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS LILLY CO ELI (US) 2010-12-08 EP disclosed
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists ELI LILLY AND COMPANY 2008-10-23 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-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists CHRNA1, CHRNA7, CHRNB1 CHRNB2 9/4885CHRNA4 12/4885CHRNB4 16/4885

“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.