SCHEMBL3337834

SCHEMBL3337834

Cc1occc1C(=O)N1CCC2NCC2C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.64
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 2/20 0.47
GFER P55789 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.44
EPHX2 P34913 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3335963 0.90 CHRNA4 (0.61) CHRNA4ALDH1A1KMT2AGFERL3MBTL1
SCHEMBL3334557 0.90 CHRNA4 (0.61) CHRNA4ALDH1A1KMT2AGFERL3MBTL1
SCHEMBL3335772 0.88 CHRNA4 (0.73) CHRNA4ALDH1A1KMT2AL3MBTL1TSHR
SCHEMBL3336838 0.84 CHRNA4 (0.82) CHRNA4ALDH1A1KMT2AGFEREPHX2
SCHEMBL3335053 0.82 CHRNA4 (0.64) CHRNA4ALDH1A1KMT2AEPHX2CHRNB2
SCHEMBL3334986 0.82 CHRNA4 (0.57) CHRNA4ALDH1A1KMT2AGFERL3MBTL1
SCHEMBL3334188 0.80 CHRNA4 (0.67) CHRNA4ALDH1A1KMT2AGFERL3MBTL1
SCHEMBL3339858 0.79 CHRNA4 (0.56) CHRNA4ALDH1A1LMNACHRNB2CHRNB4
SCHEMBL10037490 0.79 CHRNA4 (1.00) CHRNA4ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL3335030 0.78 CHRNA4 (0.64) 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 1528/4885KMT2A 2271/4885

“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.