SCHEMBL3143080

SCHEMBL3143080

CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1C#Cc1ccc2c(ccn2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 20/20 1.00
CHRNA1 P02708 6/20 1.00
CHRNG P07510 6/20 1.00
CHRNB1 P11230 6/20 1.00
CHRNB2 P17787 6/20 1.00
CHRNB4 P30926 6/20 1.00
CHRNA3 P32297 6/20 1.00
CHRNA4 P43681 6/20 1.00
CHRND Q07001 6/20 1.00
HTR3A P46098 5/20 1.00
KCNH2 Q12809 1/20 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
SCHEMBL1956737 1.00 CHRNA7 (1.00) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3143072 1.00 CHRNA7 (1.00) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL1459633 0.81 CHRNA7 (1.00) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3152735 0.80 CHRNA7 (1.00) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3152748 0.80 CHRNA7 (1.00) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL1956481 0.80 CHRNA7 (1.00) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3149673 0.79 CHRNA7 (0.78) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3150145 0.79 CHRNA7 (0.78) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2
Hydrochloric Acid SCHEMBL3154761 0.79 CHRNA7 (0.98) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2
Hydrochloric Acid SCHEMBL3154747 0.79 CHRNA7 (0.98) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2

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
EP-1753719-B1 SUBSTITUTED PYRROLIDINE-2-ONES NOVARTIS AG (CH) 2010-03-03 EP claimed
US-20070172421-A1 Substituted pyrrolidine-2-ones NOVARTIS AG (CH) 2007-07-26 US claimed
EP-1753719-A1 SUBSTITUTED PYRROLIDINE-2-ONES Novartis AG (CH) 2007-02-21 EP claimed
WO-2005118535-A1 SUBSTITUTED PYRROLIDINE-2-ONES NOVARTIS AG (CH) 2005-12-15 WO claimed
US-20100125063-A1 COMBINATIONS OF NICOTINIC ACETYLCHOLINE ALPHA 7 RECEPTOR AGONISTS NOVARTIS AG 2010-05-20 US disclosed
US-20100125063-A1 COMBINATIONS OF NICOTINIC ACETYLCHOLINE ALPHA 7 RECEPTOR AGONISTS NOVARTIS AG 2010-05-20 US disclosed
EP-1753719-B1 SUBSTITUTED PYRROLIDINE-2-ONES NOVARTIS AG (CH) 2010-03-03 EP disclosed
US-20080306081-A1 Combinations of Nicotinic Acetylcholine Alpha 7 Receptor Antagonists NOVARTIS AG (CH) 2008-12-11 US disclosed
US-20080306081-A1 Combinations of Nicotinic Acetylcholine Alpha 7 Receptor Antagonists NOVARTIS AG (CH) 2008-12-11 US disclosed
US-20070172421-A1 Substituted pyrrolidine-2-ones NOVARTIS AG (CH) 2007-07-26 US disclosed
EP-1753719-A1 SUBSTITUTED PYRROLIDINE-2-ONES Novartis AG (CH) 2007-02-21 EP disclosed
WO-2005118535-A1 SUBSTITUTED PYRROLIDINE-2-ONES NOVARTIS AG (CH) 2005-12-15 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-20100125063-A1 COMBINATIONS OF NICOTINIC ACETYLCHOLINE ALPHA 7 RECEPTOR AGONISTS CHRNA7, CHRNA4, CHRNA10 CHRNA7 1/4885CHRNA1 7/4885CHRNG 16/4885
US-20080306081-A1 Combinations of Nicotinic Acetylcholine Alpha 7 Receptor Antagonists CHRNA7, CHRNA4, CHRNA10 CHRNA7 1/4885CHRNA1 7/4885CHRNG 16/4885
US-20070172421-A1 Substituted pyrrolidine-2-ones PRLHR, EPOR, FLT1 CHRNA7 2832/4885CHRNA1 2213/4885CHRNG 2855/4885

“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.