SCHEMBL3336199

SCHEMBL3336199

Cc1occc1C(=O)N1CCCC2CNCC21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.60
ALDH1A1 P00352 7/20 0.44
MAPT P10636 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL3332950 0.93 CHRNA4 (0.62) CHRNA4ALDH1A1MAPTCHRNB2CHRNB4
SCHEMBL3334322 0.85 CHRNA4 (0.69) CHRNA4ALDH1A1MAPTCHRNB2CHRNB4
SCHEMBL3338959 0.84 CHRNA4 (0.54) CHRNA4ALDH1A1MAPTGFERKMT2A
SCHEMBL3332552 0.83 CHRNA4 (0.60) CHRNA4ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL3339640 0.83 CHRNA4 (0.56) CHRNA4ALDH1A1MAPTCHRNB2CHRNB4
SCHEMBL3336473 0.81 CHRNA4 (0.48) CHRNA4ALDH1A1MAPTGFERKMT2A
SCHEMBL3334680 0.80 CHRNA4 (0.59) CHRNA4ALDH1A1MAPTCHRNB2CHRNB4
SCHEMBL3336703 0.80 CHRNA4 (0.52) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3338039 0.78 CHRNA4 (0.44) CHRNA4ALDH1A1MAPTGFERKMT2A
SCHEMBL3334474 0.78 CHRNA4 (0.60) 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 8/4885ALDH1A1 1528/4885MAPT 2428/4885

“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.