SCHEMBL2065047

SCHEMBL2065047

CC(C)(C)OC(=O)N1CC2CN(c3cncc(C(=O)NCc4ccccc4)n3)CC2C1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 2/20 0.45
NAMPT P43490 1/20 0.44
ACHE P22303 1/20 0.44
PDE10A Q9Y233 2/20 0.43

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
SCHEMBL2065048 1.00 LMNA (0.48) LMNATDP1TP53NAMPTACHE
SCHEMBL2065028 0.91 LMNA (0.45) LMNATP53PDE10A
SCHEMBL2065027 0.91 LMNA (0.45) LMNATP53PDE10A
SCHEMBL2065971 0.88 SCN10A (0.48) PDE10A
SCHEMBL2065970 0.88 SCN10A (0.48) PDE10A
SCHEMBL2065532 0.87 NAMPT (0.42) TP53NAMPT
SCHEMBL2065530 0.87 NAMPT (0.42) TP53NAMPT
SCHEMBL2064931 0.83 PDE10A (0.43) PDE10A
SCHEMBL2064929 0.83 PDE10A (0.43) PDE10A
SCHEMBL2064511 0.83 JAK2 (0.48) ACHEPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2700639-A1 Selective ligands for the neuronal nicotinic receptors and uses thereof Abbvie Inc. (US) 2014-02-26 EP disclosed
US-8648084-B2 Selective substituted pyrazine ligands for neuronal nicotinic receptors ABBVIE INC. (US) 2014-02-11 US disclosed
US-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS ABBVIE INC. 2012-07-26 US disclosed
US-8148408-B2 Selective substituted pyridine ligands for neuronal nicotinic receptors ABBOTT LABORATORIES (US) 2012-04-03 US disclosed
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof ABBOTT LABORATORIES (US) 2009-11-12 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 (2 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-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS CHRNA4, CHRNB4, CHRNA2 LMNA 1497/4885TDP1 2106/4885TP53 4795/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 LMNA 1292/4885TDP1 1955/4885TP53 4866/4885

“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.