SCHEMBL3337823

SCHEMBL3337823

O=C(c1ccncc1)N1CCC2NCCC2C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.59
MBTD1 Q05BQ5 3/20 0.59
CHRNB2 P17787 3/20 0.56
CHRNB4 P30926 3/20 0.56
CHRNA3 P32297 3/20 0.56
CHRNA4 P43681 3/20 0.56
CHRNA7 P36544 2/20 0.56
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.51
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
NAMPT P43490 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3339652 0.91 MBTD1 (0.59) L3MBTL3MBTD1CHRNB2CHRNB4CHRNA3
SCHEMBL3332558 0.89 CHRNB2 (0.60) L3MBTL3MBTD1CHRNB2CHRNB4CHRNA3
SCHEMBL3332546 0.88 CHRNB2 (0.63) L3MBTL3MBTD1CHRNB2CHRNB4CHRNA3
SCHEMBL3332672 0.83 CHRNB2 (0.56) L3MBTL3MBTD1CHRNB2CHRNB4CHRNA3
SCHEMBL3333790 0.82 CHRNB2 (0.58) L3MBTL3MBTD1CHRNB2CHRNB4CHRNA3
SCHEMBL3337551 0.81 CHRNA4 (0.80) L3MBTL3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3332508 0.80 CHRNB2 (0.59) L3MBTL3MBTD1CHRNB2CHRNB4CHRNA3
SCHEMBL3336742 0.79 CHRNA4 (0.60) L3MBTL3MBTD1CHRNB2CHRNB4CHRNA3
SCHEMBL3338678 0.79 L3MBTL3 (0.48) L3MBTL3MBTD1CHRNB2CHRNB4CHRNA3
SCHEMBL3340529 0.77 PIK3CD (0.43) L3MBTL3MBTD1CHRNB2CHRNB4CHRNA3

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 L3MBTL3 3188/4885MBTD1 3524/4885CHRNB2 4/4885

“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.