SCHEMBL4775639

SCHEMBL4775639

CC(C)(C)OC(=O)N1C(=O)C2(CCNCC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
KDM1A O60341 1/20 0.44
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CASP1 P29466 3/20 0.39
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 3/20 0.37
RXRA P19793 2/20 0.37
NR1H3 Q13133 2/20 0.37
MAPK1 P28482 1/20 0.37
OPRL1 P41146 3/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HTT P42858 1/20 0.35
USP30 Q70CQ3 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL17203070 0.93 BCHE (0.43) BCHEKDM1APDE4APDE4BPDE4C
SCHEMBL21912851 0.91 BCHE (0.50) BCHEKDM1APDE4APDE4BPDE4C
SCHEMBL30681524 0.89 BCHE (0.48) BCHEKDM1APDE4APDE4BPDE4C
SCHEMBL21912451 0.89 BCHE (0.48) BCHEKDM1APDE4APDE4BPDE4C
SCHEMBL30901783 0.88 BCHE (0.47) BCHEKDM1APDE4APDE4BPDE4C
SCHEMBL5767171 0.86 BCHE (0.41) BCHEKDM1APDE4APDE4BPDE4C
SCHEMBL3237114 0.85 KDM1A (0.49) BCHEKDM1APDE4APDE4BPDE4C
SCHEMBL3237107 0.85 KDM1A (0.49) BCHEKDM1APDE4APDE4BPDE4C
SCHEMBL13360856 0.84 KDM1A (0.48) BCHEKDM1APDE4APDE4BPDE4C
SCHEMBL29098518 0.84 CASP1 (0.39) BCHEKDM1APDE4APDE4BPDE4C

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-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US disclosed
EP-1943250-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-07-16 EP disclosed
WO-2007028638-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-03-15 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-20170107222-A1 PYRIDYL PIPERIDINES WNT1, CTNNB1, WNT3 BCHE 4490/4885KDM1A 785/4885PDE4A 1379/4885

“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.