SCHEMBL3334240

SCHEMBL3334240

O=C(c1ccoc1)N1CCC2CNCC21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 4/20 0.60
CHRNB2 P17787 3/20 0.60
CHRNB4 P30926 3/20 0.60
CHRNA3 P32297 3/20 0.60
CHRNA7 P36544 3/20 0.60
EPHX2 P34913 2/20 0.40
PARP1 P09874 1/20 0.37
HTR2C P28335 4/20 0.36
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
SLC8A1 P32418 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
JAK1 P23458 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL3340649 0.92 CHRNA4 (0.58) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3337574 0.91 CHRNA4 (0.52) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334233 0.90 CHRNA4 (0.54) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3337687 0.86 CHRNA4 (0.68) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335598 0.81 CHRNA4 (0.57) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335901 0.80 CHRNB2 (0.48) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3333634 0.78 CHRNA4 (0.82) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17888474 0.78 MEN1 (0.44) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17888302 0.78 MEN1 (0.44) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3332716 0.78 CHRNB2 (0.60) 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.