SCHEMBL3338908

SCHEMBL3338908

Cc1ccc(C(=O)N2CCC3CC2CN3)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.49
CHRNA3 P32297 8/20 0.49
CHRNA4 P43681 8/20 0.49
CHRNB4 P30926 7/20 0.49
CHRNA7 P36544 6/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
NR1D1 P20393 1/20 0.41
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL3335905 0.85 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3337058 0.85 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3337188 0.79 CHRNA7 (0.59) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3332707 0.78 CHRNA4 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3336492 0.77 CHRNB2 (0.49) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3337632 0.77 CHRNA4 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3332980 0.76 CHRNB2 (0.49) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3334616 0.76 CHRNA4 (0.48) CHRNA4ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL3334628 0.76 CHRNA4 (0.49) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3336193 0.76 CHRNA4 (0.49) CHRNA4ALDH1A1MAPTTHRB

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 CHRNB2 4/4885CHRNA3 6/4885CHRNA4 8/4885

“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.