SCHEMBL2065041

SCHEMBL2065041

CC(C)(C)OC(=O)N1C[C@@H]2CCN(c3cncc(C(=O)Nc4cc(F)cc(F)c4)c3)[C@@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.45
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR2 O95136 1/20 0.37

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
SCHEMBL2065039 1.00 USP30 (0.45) USP30CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2065268 1.00 USP30 (0.45) USP30CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2066832 0.87 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4HDAC1
SCHEMBL2066830 0.87 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4HDAC1
SCHEMBL2065486 0.83 CHRNB4 (0.47) USP30CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2065484 0.83 CHRNB4 (0.47) USP30CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL652471 0.80 GPR119 (0.47) USP30GPR119
SCHEMBL4113401 0.79 GPR119 (0.47) USP30CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4113397 0.79 GPR119 (0.47) USP30CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2064817 0.78 HDAC1 (0.41) USP30CHRNB4CHRNA3CHRNB2CHRNA4

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 USP30 4598/4885CHRNB4 2/4885CHRNA3 9/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 USP30 4653/4885CHRNB4 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.