SCHEMBL3335514

SCHEMBL3335514

COc1cc(C(=O)N2CCC3CC2CN3)on1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 9/20 0.53
USP30 Q70CQ3 4/20 0.36
CHRNB2 P17787 3/20 0.35
SMYD3 Q9H7B4 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
SCD O00767 2/20 0.33
SCD5 Q86SK9 1/20 0.33
LMNA P02545 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL3332707 0.85 CHRNA4 (0.50) CHRNA4USP30CHRNB2SMYD3CHRNA3
SCHEMBL3340329 0.85 CHRNA4 (0.50) CHRNA4USP30CHRNB2SMYD3CHRNA3
SCHEMBL3333206 0.80 CHRNA4 (0.53) CHRNA4USP30CHRNB2TLR9TLR8
SCHEMBL3333160 0.79 CHRNA4 (0.54) CHRNA4USP30SCDLMNA
SCHEMBL3335768 0.77 CHRNA4 (0.74) CHRNA4CHRNB2CHRNA3
SCHEMBL3336193 0.76 CHRNA4 (0.49) CHRNA4SMYD3
SCHEMBL3338954 0.76 CHRNA4 (0.50) CHRNA4USP30CHRNB2SCD
SCHEMBL3336189 0.76 CHRNA4 (0.65) CHRNA4USP30CHRNB2CHRNA3SCD
SCHEMBL3335875 0.75 CHRNA4 (0.52) CHRNA4USP30SCDSCD5LMNA
SCHEMBL3339300 0.75 CHRNA4 (0.58) CHRNA4USP30CHRNB2CHRNA3SCD

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-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 claimed
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 CHRNA4 8/4885USP30 4404/4885CHRNB2 4/4885

“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.