SCHEMBL3334385

SCHEMBL3334385

O=C(c1ccon1)N1CC2CC1CCN2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 7/20 0.48
CNR2 P34972 1/20 0.39
GRM2 Q14416 4/20 0.38
CYP3A4 P08684 1/20 0.38
CHRNB2 P17787 5/20 0.37
CHRNA3 P32297 4/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
KDM1A O60341 1/20 0.32
SCN9A Q15858 2/20 0.32
KMT2A Q03164 1/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA7 P36544 3/20 0.32
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL3334209 0.79 CHRNA4 (0.49) CHRNA4RAB9ANPC1KMT2A
SCHEMBL3335063 0.77 CHRNA4 (0.48) CHRNA4CNR2GRM2CYP3A4CHRNB2
SCHEMBL3333348 0.77 CHRNA4 (0.48) CHRNA4GRM2CHRNB2CHRNA3CHRNB3
SCHEMBL3337853 0.76 CHRNA4 (0.49) CHRNA4CNR2GRM2CYP3A4CHRM2
SCHEMBL3332694 0.75 CHRNA7 (0.54) CHRNA4CHRNB2CHRNA3RAB9ACHRNB4
SCHEMBL3337650 0.75 CHRNB2 (0.46) CHRNA4CHRNB2CHRNA3CHRNB3CHRNA6
SCHEMBL3340537 0.75 CHRNA4 (0.50) CHRNA4CHRNB2CHRNA3CHRNB3CHRNA6
SCHEMBL3335936 0.75 CHRNB2 (0.52) CHRNA4CHRNB2CHRNA3CHRNB3CHRNA6
SCHEMBL3333501 0.74 CHRNB2 (0.38) CHRNA4CHRNB2CHRNA3CHRNB3CHRNA6
SCHEMBL3340235 0.74 CHRNA4 (0.48) CHRNA4CHRNB2CHRNA3CHRNB3CHRNA6

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 8/4885CNR2 46/4885GRM2 169/4885

“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.