SCHEMBL3333838

SCHEMBL3333838

O=C(c1ccc(Cl)o1)N1CCC2CNCCC21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 12/20 0.55
CHRNB2 P17787 8/20 0.55
CHRNB4 P30926 8/20 0.55
CHRNA3 P32297 8/20 0.55
CHRNA7 P36544 4/20 0.55
HTR3A P46098 1/20 0.55
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
DPP4 P27487 1/20 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
SCHEMBL3335578 0.91 CHRNA4 (0.53) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335808 0.90 CHRNA4 (0.61) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335535 0.89 CHRNA4 (0.60) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335059 0.88 CHRNB2 (0.55) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336845 0.85 CHRNB2 (0.55) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336776 0.82 CHRNA4 (0.59) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335048 0.82 CHRNA4 (0.58) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335503 0.80 CHRNB2 (0.45) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335872 0.79 CHRNA7 (0.54) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3340806 0.79 CHRNB2 (0.53) 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.