SCHEMBL3333206

SCHEMBL3333206

COc1cc(C(=O)N2CC3CC2CCN3)on1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 8/20 0.53
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
USP30 Q70CQ3 2/20 0.34
ACACB O00763 1/20 0.33
CHRNB2 P17787 2/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KDM1A O60341 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
SCHEMBL3334834 0.85 CHRNA4 (0.50) CHRNA4NPC1RAB9AUSP30CHRNB2
SCHEMBL3333235 0.85 CHRNA4 (0.50) CHRNA4CHRNB2KDM1A
SCHEMBL3335514 0.80 CHRNA4 (0.53) CHRNA4USP30CHRNB2TLR9TLR8
SCHEMBL3333584 0.79 CHRNA4 (0.54) CHRNA4USP30ACACB
SCHEMBL3335768 0.77 CHRNA4 (0.74) CHRNA4NPC1RAB9ACHRNB2
SCHEMBL3334209 0.76 CHRNA4 (0.49) CHRNA4NPC1RAB9A
SCHEMBL3336984 0.76 CHRNA4 (0.53) CHRNA4USP30ACACB
SCHEMBL3338954 0.76 CHRNA4 (0.50) CHRNA4USP30ACACBCHRNB2
SCHEMBL3336492 0.75 CHRNB2 (0.49) CHRNA4NPC1RAB9ACHRNB2KDM1A
SCHEMBL3340235 0.75 CHRNA4 (0.48) CHRNA4NPC1RAB9ACHRNB2KDM1A

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 8/4885NPC1 811/4885RAB9A 2158/4885

“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.