SCHEMBL3335825

SCHEMBL3335825

O=C(c1ccco1)N1CC2CCNCC21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.57
CHRNB2 P17787 7/20 0.57
CHRNA4 P43681 7/20 0.57
CHRNB4 P30926 6/20 0.57
CHRNA3 P32297 6/20 0.57
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 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
SCHEMBL3337983 0.91 CHRNA7 (0.59) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3335761 0.89 CHRNA4 (0.68) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3338451 0.88 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3335872 0.82 CHRNA7 (0.54) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3336571 0.81 CHRNA7 (0.60) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3334841 0.80 CHRNA4 (0.84) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3335074 0.79 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3336170 0.77 CHRNA4 (0.58) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3339846 0.77 CHRNA4 (0.58) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3334210 0.77 CHRNB2 (0.58) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3

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 CHRNA7 5/4885CHRNB2 4/4885CHRNA4 8/4885

“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.