SCHEMBL3340235

SCHEMBL3340235

O=C(c1ccno1)N1CC2CC1CCN2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 10/20 0.48
CHRNB2 P17787 9/20 0.47
CHRNA3 P32297 8/20 0.47
CHRNB4 P30926 7/20 0.47
CHRNA7 P36544 7/20 0.47
CHRM2 P08172 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
GPR6 P46095 2/20 0.34
KDM1A O60341 1/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL3332694 0.78 CHRNA7 (0.54) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3334834 0.78 CHRNA4 (0.50) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3333235 0.78 CHRNA4 (0.50) CHRNA4CHRNB2CHRNA3CHRNB4KDM1A
SCHEMBL3335936 0.77 CHRNB2 (0.52) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3337273 0.77 CHRNB2 (0.54) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3337012 0.77 CHRNA4 (0.48) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3336492 0.77 CHRNB2 (0.49) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3337632 0.77 CHRNA4 (0.48) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3335041 0.77 CHRNB2 (0.54) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3339776 0.76 CHRNA4 (0.49) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7

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 8/4885CHRNB2 4/4885CHRNA3 6/4885

“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.