SCHEMBL3333418

SCHEMBL3333418

O=C(O)N1C[C@@H]2CN[C@@H](C2)C1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 0.66
CHRNA4 P43681 17/20 0.66
CHRNB4 P30926 16/20 0.66
CHRNA3 P32297 16/20 0.66
CHRNA7 P36544 16/20 0.66

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
SCHEMBL3363292 1.00 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL31630839 0.84 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL15417831 0.82 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1711288 0.82 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1710983 0.82 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL20587813 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL26694865 0.81 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1711592 0.79 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1711532 0.79 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1711180 0.79 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2010-06-10 US disclosed
WO-2008112734-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2008-09-18 WO 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-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS CHRNA10, CHRNA2, CHRNE CHRNB2 4/4885CHRNA4 8/4885CHRNB4 12/4885

“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.