SCHEMBL4531809

SCHEMBL4531809

COc1cccc(OC)c1C1CCC(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
ACHE P22303 2/20 0.45
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
POLB P06746 1/20 0.42
POLL Q9UGP5 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCRTR2 O43614 2/20 0.40
HCRTR1 O43613 1/20 0.40
GUSB P08236 4/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4536295 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DHCRTR2
SCHEMBL4538938 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHCRTR2
SCHEMBL16796888 0.82 L3MBTL1 (0.54) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL4542036 0.76 CREBBP (0.44) ACHEIRAK4POLBL3MBTL1HCRTR2
SCHEMBL29669626 0.75 IRAK4 (0.44) ACHEIRAK4L3MBTL1HCRTR2HCRTR1
SCHEMBL4535855 0.75 ALDH1A1 (0.42) PDE4BACHEIRAK4L3MBTL1HCRTR2
SCHEMBL26673143 0.74 CRBN (0.44) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL8538828 0.73 DDB1 (0.62) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL4538490 0.73 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL18150964 0.73 L3MBTL1 (0.51) PDE4APDE4BPDE4CPDE4DDDB1

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-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R PDE4A 1724/4885PDE4B 1918/4885PDE4C 2441/4885

“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.