SCHEMBL7501012

SCHEMBL7501012

N=C1SCCN1Cc1ccnnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.61
CHRNA1 P02708 1/20 0.61
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
INMT O95050 4/20 0.35
WDR5 P61964 1/20 0.32
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL7999126 0.82 CHRNA7 (0.61) CHRNA7CHRNA1TDP1NPC1RAB9A
SCHEMBL6359826 0.80 CHRNA1 (0.59) CHRNA7CHRNA1TDP1NPC1RAB9A
SCHEMBL14931817 0.76 CHRNA7 (0.70) CHRNA7CHRNA1TDP1NPC1RAB9A
Descyanothiacloprid SCHEMBL1556829 0.76 CHRNA7 (1.00) CHRNA7CHRNA1TDP1SMN1; SMN2MEN1
SCHEMBL14931770 0.76 CHRNA7 (0.70) CHRNA7CHRNA1TDP1NPC1RAB9A
SCHEMBL7508779 0.76 CHRNA7 (0.70) CHRNA7CHRNA1TDP1NPC1RAB9A
Bromide SCHEMBL9512786 0.73 CHRNA1 (0.59) CHRNA7CHRNA1TDP1NPC1RAB9A
SCHEMBL7507814 0.73 CHRNA7 (0.68) CHRNA7CHRNA1TDP1NPC1RAB9A
SCHEMBL7503249 0.71 CHRNA1 (0.46) CHRNA7CHRNA1TDP1NPC1RAB9A
SCHEMBL14931801 0.69 CHRNA7 (0.64) CHRNA7CHRNA1TDP1NPC1RAB9A

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-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors SUNTORY LIMITED 2002-03-07 US claimed
EP-1176141-A1 HETEROCYCLIC COMPOUNDS HAVING EFFECT OF ACTIVATING NICOTINIC ACETYLCHOLINE $g(a)4$g(b)2 RECEPTOR SUNTORY LIMITED (JP) 2002-01-30 EP claimed
US-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors SUNTORY LIMITED 2002-03-07 US disclosed
EP-1176141-A1 HETEROCYCLIC COMPOUNDS HAVING EFFECT OF ACTIVATING NICOTINIC ACETYLCHOLINE $g(a)4$g(b)2 RECEPTOR SUNTORY LIMITED (JP) 2002-01-30 EP 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-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors CHRNA2, CHRNA7, CHRNB2 CHRNA7 2/4885CHRNA1 6/4885TDP1 2800/4885

“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.