SCHEMBL3334856

SCHEMBL3334856

Cc1ccc(C(=O)N2CCC3NCCC3C2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 8/20 0.60
CHRNB2 P17787 6/20 0.60
CHRNB4 P30926 6/20 0.60
CHRNA3 P32297 6/20 0.60
CHRNA7 P36544 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL3 Q96JM7 3/20 0.45
MBTD1 Q05BQ5 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3A P46098 1/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 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
SCHEMBL3337064 0.92 CHRNB2 (0.56) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3330785 0.90 CHRNA4 (0.64) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336439 0.90 CHRNA4 (0.67) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3333580 0.85 CHRNA4 (0.60) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334109 0.85 CHRNB2 (0.60) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334135 0.85 CHRNB2 (0.60) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334173 0.84 CHRNA4 (0.62) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3332928 0.83 CHRNA4 (0.82) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3332351 0.78 ALDH1A1 (0.47) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336200 0.78 CHRNB2 (0.59) 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.