SCHEMBL3337286

SCHEMBL3337286

O=C(c1ccno1)N1CCCC2NCC21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRM2 P08172 1/20 0.38
CSF1R P07333 1/20 0.37
GPR6 P46095 2/20 0.34
ITK Q08881 1/20 0.33
SCD5 Q86SK9 2/20 0.33
GRM5 P41594 1/20 0.33
JAK1 P23458 2/20 0.32
ACKR3 P25106 1/20 0.32
PARP1 P09874 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
HSD11B1 P28845 1/20 0.32
MBTD1 Q05BQ5 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
SCHEMBL3334405 0.92 CHRNA4 (0.49) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335516 0.89 CHRNA4 (0.43) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3333869 0.82 CHRNA4 (0.44) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3332235 0.81 CHRNA4 (0.59) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334232 0.81 CHRNA4 (0.45) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334950 0.78 CHRNA7 (0.51) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336005 0.78 CHRNA4 (0.49) CHRNA4SCD5
SCHEMBL3340458 0.78 CHRNA4 (0.49) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3338461 0.77 RECQL (0.48) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335585 0.77 CNR1 (0.48) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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 8/4885CHRNB2 4/4885CHRNB4 12/4885

“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.