SCHEMBL3340523

SCHEMBL3340523

O=C(c1ccno1)N1CCC2CNCCC21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 6/20 0.55
CHRNB2 P17787 4/20 0.55
CHRNB4 P30926 4/20 0.55
CHRNA3 P32297 4/20 0.55
CHRNA7 P36544 3/20 0.55
GPR6 P46095 1/20 0.36
USP30 Q70CQ3 4/20 0.35
UTS2R Q9UKP6 1/20 0.34
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
JAK1 P23458 2/20 0.33
CHRM2 P08172 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
CSF1R P07333 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3336969 0.91 CHRNA4 (0.53) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335566 0.90 CHRNA4 (0.61) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3333610 0.89 CHRNA4 (0.60) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3332235 0.82 CHRNA4 (0.59) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336170 0.82 CHRNA4 (0.58) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334232 0.80 CHRNA4 (0.45) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335872 0.79 CHRNA7 (0.54) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334429 0.78 CHRNA4 (0.57) CHRNA4USP30
SCHEMBL3337840 0.78 CHRNA4 (0.57) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336270 0.78 CHRNA4 (0.84) 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.