SCHEMBL729280

SCHEMBL729280

COC(=O)c1ccc(OC)c(OCC2CC2)c1N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.49
PTGER4 P35408 1/20 0.47
KDM4E B2RXH2 4/20 0.47
POLB P06746 1/20 0.47
PARP15 Q460N3 2/20 0.45
PARP10 Q53GL7 2/20 0.45
PDE4B Q07343 9/20 0.43
PDE4A P27815 4/20 0.43
PDE4C Q08493 4/20 0.43
HTR4 Q13639 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PARP2 Q9UGN5 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL729384 0.81 PDE4D (0.47) PDE4DPTGER4KDM4EPOLBPARP15
SCHEMBL730471 0.80 PDE4D (0.46) PDE4DPTGER4KDM4EPOLBPARP15
SCHEMBL857226 0.80 KDM4E (0.65) PDE4DKDM4EPOLBALDH1A1HSD17B10
SCHEMBL730521 0.77 PDE5A (0.48) PDE4DKDM4EPOLBPDE4BPDE4A
SCHEMBL6768887 0.76 ALDH1A1 (0.48) KDM4EPOLBPARP15PARP10ALDH1A1
SCHEMBL6771073 0.76 ALDH1A1 (0.45) KDM4EPOLBPARP15PARP10PDE4B
SCHEMBL15753940 0.76 GAA (0.51) PDE4DPTGER4KDM4EPARP15PARP10
SCHEMBL3225627 0.76 PARP10 (0.67) PDE4DPTGER4KDM4EPARP15PARP10
SCHEMBL6769221 0.75 ALDH1A1 (0.50) KDM4EPOLBPARP15PARP10ALDH1A1
SCHEMBL2847850 0.74 PDE4B (0.43) PDE4DPTGER4PARP15PARP10PDE4B

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-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-02-21 US disclosed
CN-102686578-A Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS INC 2012-09-19 CN disclosed
EP-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP disclosed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 US disclosed
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 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 (2 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-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4D 9/4885PTGER4 33/4885KDM4E 1489/4885
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4D 9/4885PTGER4 33/4885KDM4E 1489/4885

“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.