SCHEMBL2064308

SCHEMBL2064308

C[C@@H](NC(=O)c1cncc(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2064311 1.00 ACACB (0.43) ACACBCHRNB4CHRNA3MEN1LMNA
SCHEMBL2066567 1.00 ACACB (0.43) ACACBCHRNB4CHRNA3MEN1LMNA
SCHEMBL2064306 1.00 ACACB (0.43) ACACBCHRNB4CHRNA3MEN1LMNA
SCHEMBL2066565 1.00 ACACB (0.43) ACACBCHRNB4CHRNA3MEN1LMNA
SCHEMBL2064810 0.84 CHRNB4 (0.44) CHRNB4CHRNA3GPR119ROCK2
SCHEMBL2064929 0.82 PDE10A (0.43) ACACB
SCHEMBL2064931 0.82 PDE10A (0.43) ACACB
SCHEMBL1135483 0.82 CHRNB4 (0.50) CHRNB4CHRNA3
SCHEMBL1135425 0.82 CHRNB4 (0.50) CHRNB4CHRNA3
SCHEMBL2064193 0.81 GPR119 (0.45) GPR119

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 ACACB 3684/4885CHRNB4 2/4885CHRNA3 9/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 ACACB 3269/4885CHRNB4 2/4885CHRNA3 7/4885

“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.