SCHEMBL3340445

SCHEMBL3340445

O=C(c1ccon1)N1CCC2CNCC21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 11/20 0.61
CNR2 P34972 1/20 0.47
SLC8A1 P32418 1/20 0.39
PARP1 P09874 1/20 0.39
HTR2C P28335 5/20 0.38
HTR2A P28223 4/20 0.38
HTR2B P41595 4/20 0.38
CHRNB2 P17787 7/20 0.36
CHRNA7 P36544 7/20 0.36
CHRNB4 P30926 6/20 0.36
CHRNA3 P32297 6/20 0.36

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
SCHEMBL3334817 0.92 CHRNA4 (0.59) CHRNA4CNR2SLC8A1HTR2CHTR2A
SCHEMBL3336122 0.91 CHRNA4 (0.53) CHRNA4CNR2SLC8A1PARP1CHRNB2
SCHEMBL3336708 0.90 CHRNA4 (0.55) CHRNA4CNR2SLC8A1PARP1HTR2C
SCHEMBL3332766 0.86 CHRNA4 (0.68) CHRNA4CNR2CHRNB2CHRNA7CHRNB4
SCHEMBL3334548 0.82 CHRNA4 (0.58) CHRNA4CNR2CHRNB2CHRNA7CHRNB4
SCHEMBL3336729 0.80 CHRNA4 (0.49) CHRNA4CNR2CHRNB2CHRNA7
SCHEMBL3337000 0.79 CHRNA4 (0.82) CHRNA4CHRNB2CHRNA7CHRNB4CHRNA3
SCHEMBL3334097 0.78 CHRNA4 (0.62) CHRNA4
SCHEMBL3333566 0.78 CHRNA4 (0.60) CHRNA4CNR2CHRNB2CHRNA7CHRNB4
SCHEMBL3339757 0.76 CHRNA4 (0.61) CHRNA4SLC8A1PARP1HTR2CHTR2A

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 8/4885CNR2 46/4885SLC8A1 702/4885

“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.