SCHEMBL1463428

SCHEMBL1463428

O=C(CS(=O)(=O)c1ccccc1)N1CC2CNCC2C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ CHRNA4 P43681 7/20 0.54
▸ CHRNB2 P17787 6/20 0.54
▸ CHRNB4 P30926 6/20 0.54
▸ CHRNA3 P32297 6/20 0.54
▸ CHRNA7 P36544 6/20 0.54
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HSD11B1 P28845 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTT P42858 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
SCHEMBL1462831 0.86 CHRNB2 (0.56) SMN1; SMN2POLBCHRNA4CHRNB2CHRNB4
SCHEMBL20346316 0.75 SMN1; SMN2 (0.97) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL24815673 0.74 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL12425968 0.74 SMN1; SMN2 (1.00) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL29986910 0.74 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL1462738 0.73 CHRNA4 (0.62) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL28762510 0.72 BPTF (0.52) POLBCHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL1914984 0.72 BPTF (0.52) POLBCHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL14704709 0.72 BPTF (0.52) POLBCHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL12385780 0.71 SMN1; SMN2 (0.66) SMN1; SMN2POLBKMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2011-03-24 — — US claimed
EP-2257549-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES Targacept Inc. (US) 2010-12-08 — — EP claimed
WO-2009111550-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES TARGACEPT, INC. (US) 2009-09-11 — — WO claimed
US-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2011-03-24 — — US disclosed
EP-2257549-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES Targacept Inc. (US) 2010-12-08 — — EP disclosed
WO-2009111550-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES TARGACEPT, INC. (US) 2009-09-11 — — 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-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA7, CHRNA2, CHRNA5 SMN1; SMN2 330/4885POLB 3821/4885CHRNA4 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.

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