SCHEMBL3334841

SCHEMBL3334841

O=C(c1ccco1)N1CC2CCNCC2C1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 16/20 0.84
CHRNB2 P17787 14/20 0.84
CHRNB4 P30926 14/20 0.84
CHRNA3 P32297 14/20 0.84
CHRNA7 P36544 11/20 0.84
LMNA P02545 1/20 0.51
HTR3A P46098 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL584751 0.91 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3330886 0.85 CHRNA4 (0.82) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
Trifluoroacetic Acid SCHEMBL584446 0.83 CHRNA4 (0.82) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3337983 0.81 CHRNA7 (0.59) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335464 0.81 CHRNB2 (0.66) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335825 0.80 CHRNA7 (0.57) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3337988 0.79 CHRNB2 (0.72) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335872 0.77 CHRNA7 (0.54) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3340900 0.77 CHRNB2 (0.61) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL585513 0.77 CHRNA4 (1.00) 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.