SCHEMBL2064720

SCHEMBL2064720

CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cncc(C(=O)Nc4ccc(Cl)cc4)n3)C[C@@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
USP30 Q70CQ3 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
GPR119 Q8TDV5 1/20 0.41
PDE10A Q9Y233 2/20 0.41

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
SCHEMBL2064718 1.00 NR3C1 (0.46) NR3C1MAPTMEN1TSHRKMT2A
SCHEMBL2065523 0.89 USP30 (0.43) SMN1; SMN2USP30PDE10A
SCHEMBL2065525 0.89 USP30 (0.43) SMN1; SMN2USP30PDE10A
SCHEMBL2064240 0.86 SCN10A (0.43) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL2064242 0.86 SCN10A (0.43) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL2065034 0.86 HDAC1 (0.42) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL2065033 0.86 HDAC1 (0.42) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL2065436 0.85 SCN2A (0.47) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL2065435 0.85 SCN2A (0.47) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL2065472 0.85 SCN2A (0.46) MAPTMEN1TSHRKMT2ASMN1; SMN2

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 NR3C1 430/4885MAPT 1458/4885MEN1 3463/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 NR3C1 442/4885MAPT 1598/4885MEN1 3152/4885

“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.