SCHEMBL2065034

SCHEMBL2065034

CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cncc(C(=O)Nc4cc(F)cc(F)c4)n3)C[C@@H]2C1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
USP30 Q70CQ3 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE10A Q9Y233 2/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL2065033 1.00 HDAC1 (0.42) HDAC1HDAC2USP30GPR119MEN1
SCHEMBL2064240 0.90 SCN10A (0.43) GPR119MEN1MAPTTSHRKMT2A
SCHEMBL2064242 0.90 SCN10A (0.43) GPR119MEN1MAPTTSHRKMT2A
SCHEMBL2065471 0.88 SCN2A (0.46) GPR119MEN1MAPTTSHRKMT2A
SCHEMBL2065472 0.88 SCN2A (0.46) GPR119MEN1MAPTTSHRKMT2A
SCHEMBL2064718 0.86 NR3C1 (0.46) USP30GPR119MEN1MAPTTSHR
SCHEMBL2064720 0.86 NR3C1 (0.46) USP30GPR119MEN1MAPTTSHR
SCHEMBL2065523 0.84 USP30 (0.43) USP30SMN1; SMN2PDE10A
SCHEMBL2065436 0.84 SCN2A (0.47) GPR119MEN1MAPTTSHRKMT2A
SCHEMBL2065435 0.84 SCN2A (0.47) GPR119MEN1MAPTTSHRKMT2A

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 HDAC1 1446/4885HDAC2 2623/4885USP30 4598/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 HDAC1 1636/4885HDAC2 2823/4885USP30 4653/4885

“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.