SCHEMBL10037513

SCHEMBL10037513

[C-]#[N+]c1ccc(C(=O)N2CC3CNCC(C3)C2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 19/20 1.00
CHRNB2 P17787 10/20 0.67
CHRNB4 P30926 10/20 0.67
CHRNA3 P32297 10/20 0.67
CHRNA7 P36544 4/20 0.66

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
SCHEMBL10037500 0.86 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL585639 0.81 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10037503 0.80 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL585105 0.80 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL584716 0.80 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10067763 0.78 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10037526 0.76 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10037509 0.76 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10037501 0.74 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
Trifluoroacetic Acid SCHEMBL584770 0.73 CHRNA4 (0.83) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580434-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes ATTENUA, INC. (US) 2017-02-28 US disclosed
US-20160039833-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CATALYST BIOSCIENCES, INC. 2016-02-11 US disclosed
US-20150080576-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT INC (US) 2015-03-19 US disclosed
US-8921410-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2014-12-30 US disclosed
US-8859609-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2014-10-14 US disclosed
US-20130005789-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes TARGACEPT, INC. (US) 2013-01-03 US disclosed
US-20120289572-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes TARGACEPT, INC. (US) 2012-11-15 US disclosed
US-8268860-B2 Sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2012-09-18 US disclosed
US-8114889-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2012-02-14 US disclosed
US-20100173932-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2010-07-08 US disclosed
US-20100081683-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGCEPT INC. (US) 2010-04-01 US 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 (6 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-20120289572-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes CHRNA2, CHRNE, CHRNA7 CHRNA4 4/4885CHRNB2 5/4885CHRNB4 11/4885
US-20130005789-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes CHRNA2, CHRNE, CHRNA7 CHRNA4 4/4885CHRNB2 5/4885CHRNB4 11/4885
US-20150080576-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA4, CHRNA2, CHRNE CHRNA4 1/4885CHRNB2 5/4885CHRNB4 6/4885
US-20100081683-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA7, CHRNE, CHRNA2 CHRNA4 5/4885CHRNB2 4/4885CHRNB4 9/4885
US-20100173932-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA4, CHRNA2, CHRNE CHRNA4 1/4885CHRNB2 5/4885CHRNB4 6/4885
US-20160039833-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA2, CHRNE, CHRNA7 CHRNA4 4/4885CHRNB2 5/4885CHRNB4 11/4885

“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.