SCHEMBL3327588

SCHEMBL3327588

O=C(c1ccc(C#Cc2ccccc2)o1)N1CCN2CCC1CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 1/20 0.54
CHRNA7 P36544 2/20 0.53
NPSR1 Q6W5P4 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR3A P46098 1/20 0.45
PRSS1 P07477 4/20 0.44
PRSS2 P07478 4/20 0.44
PRSS3 P35030 4/20 0.44
MAOA P21397 1/20 0.43

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
SCHEMBL373086 0.78 CHRNA7 (0.58) CHRNA7MAPTMAPK1ALDH1A1HTR3A
SCHEMBL4208891 0.75 CHRNA7 (0.61) CHRNA7L3MBTL1HTR3A
SCHEMBL373000 0.74 CHRNA7 (0.59) CHRNA4CHRNA7L3MBTL1HTR3A
SCHEMBL4032689 0.74 CHRNA7 (0.54) CHRNA7HTR3A
SCHEMBL3325935 0.74 CHRNA7 (0.59) CHRNA4CHRNA7MAPK1ALDH1A1LMNA
SCHEMBL4705145 0.73 CHRNA7 (0.52) CHRNA4CHRNA7HTR3A
SCHEMBL3836435 0.72 CHRNA7 (0.54) CHRNA7HTR3A
SCHEMBL2912850 0.72 CHRNA7 (0.78) CHRNA7HTR3A
SCHEMBL4030570 0.72 CHRNA7 (0.60) CHRNA7L3MBTL1HTR3A
SCHEMBL3326205 0.71 CHRNA7 (0.53) CHRNA7HTR3A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US claimed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP claimed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US claimed
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 US disclosed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP disclosed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US disclosed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP disclosed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 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 (2 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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES CHRNA6, CHRNA10, CHRNA2 CHRNA4 7/4885CHRNA7 6/4885NPSR1 41/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 CHRNA4 7/4885CHRNA7 6/4885NPSR1 41/4885

“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.