SCHEMBL3334102

SCHEMBL3334102

Cc1ccc(C(=O)N2CCC3NCCCC32)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNA7 P36544 1/20 0.44
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
CHRM2 P08172 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 3/20 0.40
PKM P14618 3/20 0.40
RAB9A P51151 3/20 0.40

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
SCHEMBL3332351 0.94 ALDH1A1 (0.47) ALDH1A1L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL3334215 0.89 ALDH1A1 (0.48) ALDH1A1L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL3335811 0.88 CHRNB2 (0.48) ALDH1A1L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL3332980 0.87 CHRNB2 (0.49) ALDH1A1L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL3335186 0.85 CHRNB2 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3339928 0.85 CHRNB2 (0.44) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3335425 0.82 ALDH1A1 (0.49) ALDH1A1L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL3334992 0.82 CHRNB2 (0.49) ALDH1A1L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL3337606 0.78 CHRNB2 (0.45) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3335503 0.78 CHRNB2 (0.45) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4

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 ALDH1A1 1528/4885L3MBTL1 2900/4885CHRNB2 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.