SCHEMBL3335936

SCHEMBL3335936

O=C(c1ccncc1)N1CC2CC1CCN2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.52
CHRNA4 P43681 5/20 0.52
CHRNA3 P32297 4/20 0.52
CHRNB4 P30926 3/20 0.52
CHRNA7 P36544 2/20 0.52
PIK3CD O00329 1/20 0.48
GAA P10253 2/20 0.46
RECQL P46063 2/20 0.42
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 4/20 0.39
KDM1A O60341 1/20 0.38
HTT P42858 1/20 0.38
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
POLB P06746 1/20 0.36
AKR1C3 P42330 1/20 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
SCHEMBL30359124 0.79 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3337650 0.78 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3340235 0.77 CHRNA4 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3333501 0.77 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3330896 0.75 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3333348 0.75 CHRNA4 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3334385 0.75 CHRNA4 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3337012 0.75 CHRNA4 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3330891 0.74 PIK3CD (0.47) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3332694 0.73 CHRNA7 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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 3 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
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 CHRNB2 4/4885CHRNA4 8/4885CHRNA3 6/4885

“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.