SCHEMBL3340451

SCHEMBL3340451

O=C(c1ccncc1)N1CCCC2CNCC21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.57
CHRNB4 P30926 5/20 0.57
CHRNA3 P32297 5/20 0.57
CHRNA4 P43681 5/20 0.57
CHRNA7 P36544 4/20 0.57
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 4/20 0.42
PREP P48147 2/20 0.42
DPP4 P27487 1/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3332716 0.92 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3335211 0.83 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3334677 0.82 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3331075 0.81 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3338461 0.80 RECQL (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3340649 0.79 CHRNA4 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3332235 0.78 CHRNA4 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3336717 0.78 POLB (0.38) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3335067 0.78 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3336413 0.76 MBTD1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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 CHRNB2 4/4885CHRNB4 12/4885CHRNA3 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.