SCHEMBL8219110

SCHEMBL8219110

CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
CTSL P07711 1/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NTSR1 P30989 1/20 0.45
EPHX1 P07099 1/20 0.45
GRIN2B Q13224 2/20 0.45
STS P08842 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL14650327 0.90 PDE4B (0.55) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL951538 0.88 KMT2A (0.59) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL29259990 0.86 KMT2A (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL16096196 0.85 PDE4B (0.57) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1775260 0.83 HSD11B1 (0.59) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1971844 0.83 HSD11B1 (0.59) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL953899 0.83 HSD11B1 (0.59) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL304546 0.83 SMN1; SMN2 (0.58) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL4033681 0.83 CPB1 (0.54) PDE4BSMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL14801009 0.83 SMN1; SMN2 (0.53) PDE4BSMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
WO-2007142583-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 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-20070287695-A1 Novel Compounds OPRM1, OPRL1, OPRK1 PDE4B 634/4885SMN1; SMN2 93/4885NPC1 455/4885

“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.