SCHEMBL1464577

SCHEMBL1464577

O=C(C1CCCCC1)N1CC2CNCC2C1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 13/20 0.81
▸ CHRNA3 P32297 13/20 0.81
▸ CHRNA4 P43681 13/20 0.81
▸ CHRNB4 P30926 11/20 0.81
▸ CHRNA7 P36544 10/20 0.81
▸ HSD11B1 P28845 6/20 0.71
▸ HSD11B2 P80365 2/20 0.61
▸ CHRNB3 Q05901 2/20 0.56
▸ CHRNA6 Q15825 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ TSHR P16473 1/20 0.55

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
SCHEMBL1464046 0.98 CHRNB2 (0.85) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1464540 0.94 CHRNB2 (0.85) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1463720 0.90 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL13833626 0.83 CHRNB2 (0.68) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1463445 0.81 CHRNB2 (0.83) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL20160124 0.80 CHRNB2 (0.73) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1463847 0.79 CHRNB2 (0.86) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL12744660 0.79 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL11772250 0.78 HSD11B1 (0.74) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL13694489 0.77 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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 CHRNB2 4/4885CHRNA3 8/4885CHRNA4 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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