SCHEMBL2947696

SCHEMBL2947696

Nc1cccc(OC2CCN(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
CYP2C19 P33261 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
LNPEP Q9UIQ6 1/20 0.54
OPRK1 P41145 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PDE4B Q07343 1/20 0.48
GRIN2B Q13224 6/20 0.48
HTT P42858 1/20 0.48
GPR119 Q8TDV5 3/20 0.48
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 1/20 0.46
CYP3A4 P08684 2/20 0.45

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
SCHEMBL12660048 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9ALNPEP
SCHEMBL29942602 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9ALNPEP
SCHEMBL23301488 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9ALNPEP
SCHEMBL13198831 0.87 SMN1; SMN2 (0.63) SMN1; SMN2CYP2C19NPC1RAB9ALNPEP
SCHEMBL21854787 0.85 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9ALNPEP
SCHEMBL30120062 0.85 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9ALNPEP
SCHEMBL309611 0.84 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C19NPC1RAB9ALNPEP
SCHEMBL1641404 0.82 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9ALNPEP
SCHEMBL4717723 0.82 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C19NPC1RAB9ALNPEP
SCHEMBL30012105 0.82 GPR119 (0.53) SMN1; SMN2CYP2C19NPC1RAB9ALNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
EP-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP disclosed
EP-1761520-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-03-14 EP disclosed
WO-2006009741-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-01-26 WO disclosed
EP-1609789-A1 UREIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-12-28 EP 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-20080306068-A1 Suppression cytokines, tumor necrosis factor TNF, TNFRSF1A, IL2 SMN1; SMN2 4848/4885CYP2C19 4364/4885NPC1 3855/4885

“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.