SCHEMBL2955018

SCHEMBL2955018

COc1cccc(Oc2cncc(N3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
HDAC1 Q13547 1/20 0.43
PARP1 P09874 1/20 0.43
GHSR Q92847 1/20 0.40
RET P07949 2/20 0.40
HSD11B1 P28845 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 1/20 0.38
FAAH O00519 1/20 0.38
MAPK8 P45983 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MTNR1A P48039 1/20 0.36

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
SCHEMBL2958457 0.91 GPR119 (0.48) GPR119CHRNB2CHRNA4HDAC1PARP1
SCHEMBL7001601 0.90 GPR119 (0.52) GPR119CHRNB2CHRNA4HDAC1PARP1
SCHEMBL3050124 0.85 GPR119 (0.47) GPR119HDAC1PARP1RETHSD11B1
SCHEMBL3050128 0.85 GPR119 (0.47) GPR119HDAC1PARP1RETHSD11B1
SCHEMBL11963191 0.80 GPR119 (0.48) GPR119CHRNB2CHRNA4HDAC1PARP1
SCHEMBL2949364 0.80 GPR119 (0.48) GPR119CHRNB2CHRNA4HDAC1PARP1
SCHEMBL23042937 0.78 GPR119 (0.51) GPR119HDAC1PARP1RETHSD11B1
SCHEMBL30261886 0.78 GPR119 (0.51) GPR119HDAC1PARP1RETHSD11B1
SCHEMBL2960207 0.78 HDAC1 (0.49) GPR119CHRNB2CHRNA4HDAC1PARP1
SCHEMBL11963074 0.77 GPR119 (0.43) GPR119CHRNB2CHRNA4HDAC1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41439-E1 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2010-07-13 US disclosed
EP-1289996-B1 HETEROARYLDIAZABICYCLOALKANES AS NICOTINIC CHOLINERGIC RECEPTOR LIGANDS TARGACEPT INC (US) 2005-04-06 EP disclosed
US-6852721-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-02-08 US disclosed
US-20020013309-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-01-31 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 (1 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-20020013309-A1 Pharmaceutical compositions and methods for use CYP2D6, CYP3A5, CYP2B6 GPR119 1217/4885CHRNB2 359/4885CHRNA4 385/4885

“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.