SCHEMBL3334577

SCHEMBL3334577

O=C(c1ccco1)N1CCC2NCC2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.63
CHRNB4 P30926 5/20 0.63
CHRNA3 P32297 5/20 0.63
CHRNA7 P36544 5/20 0.63
CHRNA4 P43681 5/20 0.63
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.52
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.46
RBP4 P02753 1/20 0.46

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
SCHEMBL3336200 0.90 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3337978 0.90 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3337988 0.88 CHRNB2 (0.72) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3330886 0.83 CHRNA4 (0.82) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3337652 0.82 RAB9A (0.57) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3335464 0.78 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3338966 0.78 CHRNA4 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3335880 0.78 CHRNA4 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3333849 0.78 CHRNA4 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3330785 0.78 CHRNA4 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 4/4885CHRNB4 12/4885CHRNA3 6/4885

“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.