SCHEMBL3333160

SCHEMBL3333160

COc1cc(C(=O)N2CCC3NCC32)on1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 6/20 0.54
USP30 Q70CQ3 6/20 0.41
SCD O00767 1/20 0.34
LMNA P02545 1/20 0.33
ACACB O00763 1/20 0.33
ADRA1D P25100 3/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
ALDH1A1 P00352 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
SCHEMBL3335875 0.93 CHRNA4 (0.52) CHRNA4USP30SCDLMNAALDH1A1
SCHEMBL3338954 0.89 CHRNA4 (0.50) CHRNA4USP30SCDACACBADRA1D
SCHEMBL3332944 0.88 CHRNA4 (0.49) CHRNA4USP30SCDADRA1DADRA1A
SCHEMBL3336210 0.84 CHRNA4 (0.51) CHRNA4USP30
SCHEMBL3335098 0.84 CHRNA4 (0.51) CHRNA4USP30
SCHEMBL3334936 0.83 CHRNA4 (0.48) CHRNA4USP30SCDLMNAADRA1D
SCHEMBL3336189 0.82 CHRNA4 (0.65) CHRNA4USP30SCD
SCHEMBL3339300 0.81 CHRNA4 (0.58) CHRNA4USP30SCD
SCHEMBL3336344 0.81 CHRNA4 (0.60) CHRNA4USP30SCD
SCHEMBL3332516 0.79 CHRNA4 (0.67) CHRNA4USP30SCDLMNAACACB

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 4 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
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 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 4404/4885SCD 3173/4885

“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.