SCHEMBL3340973

SCHEMBL3340973

O=C(c1ccc(Br)o1)N1CCC2CNCC21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 10/20 0.61
CHRNB2 P17787 8/20 0.61
CHRNB4 P30926 8/20 0.61
CHRNA3 P32297 8/20 0.61
CHRNA7 P36544 5/20 0.45
HTR3A P46098 1/20 0.45
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 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
SCHEMBL3332673 0.92 CHRNB2 (0.59) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3340806 0.91 CHRNB2 (0.53) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335059 0.90 CHRNB2 (0.55) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335808 0.87 CHRNA4 (0.61) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336713 0.86 CHRNA4 (0.68) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3337549 0.84 CHRNA4 (0.61) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334210 0.82 CHRNB2 (0.58) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336053 0.80 CHRNB2 (0.49) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336776 0.80 CHRNA4 (0.59) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334373 0.79 CHRNA4 (0.82) 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.