SCHEMBL1463763

SCHEMBL1463763

CC(C)(C)C(=O)N1CC2CNCC2C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 20/20 0.61
CHRNB2 P17787 17/20 0.61
CHRNB4 P30926 17/20 0.61
CHRNA3 P32297 17/20 0.61
CHRNA7 P36544 15/20 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
SCHEMBL1463371 0.84 CHRNA4 (0.57) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1463336 0.84 CHRNA4 (0.57) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17192616 0.80 NR1H2 (0.42) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1463840 0.80 CHRNB2 (0.63) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL28672272 0.79 CHRNA4 (0.55) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22248806 0.79 CHRNA4 (0.55) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL22235812 0.78 CHRNA4 (0.53) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL22235809 0.78 CHRNA4 (0.53) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16886315 0.77 RIPK1 (0.36) CHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL17281952 0.77 RIPK1 (0.36) CHRNA4CHRNB2CHRNB4CHRNA3

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 12 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-20220098214-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING FIBROSIS YALE UNIVERSITY 2022-03-31 US disclosed
US-20210038599-A1 SMALL MOLECULE DEGRADERS OF POLYBROMO-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-11 US disclosed
WO-2020160321-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING FIBROSIS YALE UNIVERSITY (US) 2020-08-06 WO disclosed
US-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2011-03-24 US disclosed
US-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2011-03-24 US disclosed
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
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 (3 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 CHRNA4 6/4885CHRNB2 4/4885CHRNB4 9/4885
US-20220098214-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING FIBROSIS DUSP5, DUSP4, DUSP6 CHRNA4 4424/4885CHRNB2 4195/4885CHRNB4 4024/4885
US-20210038599-A1 SMALL MOLECULE DEGRADERS OF POLYBROMO-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 CHRNA4 2983/4885CHRNB2 2739/4885CHRNB4 2992/4885

“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.