SCHEMBL3334405

SCHEMBL3334405

O=C(c1ccno1)N1CCC2NCC21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRM2 P08172 1/20 0.39
GPR6 P46095 2/20 0.36
CSF1R P07333 1/20 0.36
JAK1 P23458 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
USP30 Q70CQ3 2/20 0.32
ACE2 Q9BYF1 1/20 0.32
DGAT1 O75907 1/20 0.32
GRM5 P41594 1/20 0.32
ACKR3 P25106 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
SCHEMBL3337286 0.92 CHRNA4 (0.47) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334232 0.88 CHRNA4 (0.45) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3333869 0.87 CHRNA4 (0.44) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335566 0.80 CHRNA4 (0.61) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336969 0.79 CHRNA4 (0.53) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3340523 0.78 CHRNA4 (0.55) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336696 0.77 CHRNA7 (0.53) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3338966 0.76 CHRNA4 (0.64) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335098 0.76 CHRNA4 (0.51) CHRNA4USP30
SCHEMBL3336210 0.76 CHRNA4 (0.51) CHRNA4CHRNB2CHRNB4CHRNA3KMT2A

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.