SCHEMBL3335946

SCHEMBL3335946

O=C(c1ccco1)N1CCC2NCCCC21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.51
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.45
PKM P14618 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CHRNB2 P17787 5/20 0.43
CHRNB4 P30926 5/20 0.43
CHRNA3 P32297 5/20 0.43
CHRNA4 P43681 5/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3333383 0.93 CHRNA7 (0.52) CHRNA7GAATSHRSMN1; SMN2KDM4E
SCHEMBL6443030 0.90 CHRNA7 (0.51) CHRNA7GAATSHRSMN1; SMN2KDM4E
SCHEMBL27470717 0.90 CHRNA7 (0.51) CHRNA7GAATSHRSMN1; SMN2KDM4E
SCHEMBL6443033 0.90 CHRNA7 (0.51) CHRNA7GAATSHRSMN1; SMN2KDM4E
SCHEMBL3341257 0.88 CHRNA7 (0.50) CHRNA7GAATSHRSMN1; SMN2KDM4E
SCHEMBL3335655 0.88 CHRNA7 (0.49) CHRNA7GAATSHRSMN1; SMN2KDM4E
SCHEMBL3336696 0.86 CHRNA7 (0.53) CHRNA7GAATSHRSMN1; SMN2KDM4E
SCHEMBL3334950 0.82 CHRNA7 (0.51) CHRNA7GAATSHRSMN1; SMN2KDM4E
SCHEMBL3336153 0.81 CHRNA7 (0.50) CHRNA7GAATSHRSMN1; SMN2KDM4E
SCHEMBL3339928 0.78 CHRNB2 (0.44) CHRNA7RAB9ACHRNB2CHRNB4CHRNA3

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 5/4885GAA 3960/4885TSHR 428/4885

“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.