SCHEMBL3338461

SCHEMBL3338461

O=C(c1ccncc1)N1CCCC2NCC21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
KDM4E B2RXH2 2/20 0.45
CHRNB2 P17787 3/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNA7 P36544 2/20 0.44
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
PREP P48147 3/20 0.40
GAA P10253 3/20 0.40
FAP Q12884 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP4 P27487 1/20 0.40
HPGD P15428 1/20 0.40
PIK3CD O00329 1/20 0.39
POLB P06746 1/20 0.39
GRM5 P41594 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL3336203 0.92 CHRNB2 (0.47) RECQLKDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL3336413 0.88 MBTD1 (0.47) RECQLKDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL3336833 0.81 MBTD1 (0.51) RECQLKDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL3340451 0.80 CHRNB2 (0.57) RECQLKDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL3340529 0.79 PIK3CD (0.43) RECQLKDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL3330906 0.78 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3337318 0.77 POLB (0.33) MBTD1L3MBTL3GAAHPGDPOLB
SCHEMBL3337286 0.77 CHRNA4 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL5908997 0.75 GAA (0.71) RECQLKDM4EGAAHPGDPIK3CD
SCHEMBL22055721 0.75 GAA (0.71) RECQLKDM4EGAAHPGDPIK3CD

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 RECQL 3102/4885KDM4E 2876/4885CHRNB2 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.