SCHEMBL3334817

SCHEMBL3334817

O=C(c1ccon1)N1CCCC2CNCC21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 6/20 0.59
CNR2 P34972 1/20 0.48
SCD5 Q86SK9 7/20 0.39
SCD O00767 2/20 0.36
SLC8A1 P32418 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
KEAP1 Q14145 1/20 0.34
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34

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
SCHEMBL3340445 0.92 CHRNA4 (0.61) CHRNA4CNR2SLC8A1CHRNB2CHRNB4
SCHEMBL3332766 0.84 CHRNA4 (0.68) CHRNA4CNR2CHRNB2CHRNB4CHRNA3
SCHEMBL3336122 0.84 CHRNA4 (0.53) CHRNA4CNR2SCD5SLC8A1CHRNB2
SCHEMBL3336708 0.82 CHRNA4 (0.55) CHRNA4CNR2SCD5SLC8A1CHRNB2
SCHEMBL3336090 0.81 CNR2 (0.49) CHRNA4CNR2SCD5SCDKEAP1
SCHEMBL3334548 0.80 CHRNA4 (0.58) CHRNA4CNR2CHRNB2CHRNB4CHRNA3
SCHEMBL3330947 0.79 CHRNA4 (0.60) CHRNA4SCD5SCD
SCHEMBL3330916 0.78 CHRNA4 (0.59) CHRNA4SLC8A1CHRNB2CHRNB4CHRNA3
SCHEMBL3337598 0.78 CNR2 (0.48) CHRNA4CNR2SCD5SCDKEAP1
SCHEMBL3340649 0.76 CHRNA4 (0.58) CHRNA4CNR2CHRNB2CHRNB4CHRNA3

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 46/4885SCD5 4395/4885

“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.