SCHEMBL4879930

SCHEMBL4879930

COc1ccc(C2=NOC3(CCCC3)C2)cc1OCC(=O)NC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 2/20 0.53
PDE4A P27815 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
DHODH Q02127 1/20 0.48
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 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
SCHEMBL4877912 0.88 PDE4B (0.48) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL4876277 0.87 PDE4B (0.47) HPGDNPC1RAB9AALDH1A1PDE4A
SCHEMBL3673761 0.86 CDK4 (0.44) HPGDNPC1RAB9AALDH1A1PDE4A
SCHEMBL4874449 0.85 PDE4B (0.48) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL4867637 0.84 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4867717 0.84 PDE4B (0.48) HPGDRAB9AALDH1A1PDE4APDE4B
SCHEMBL4877799 0.83 PDE4B (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL5247867 0.83 PDE4B (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL4877952 0.82 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4878691 0.82 PDE4B (0.48) HPGDRAB9AALDH1A1PDE4APDE4B

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-20080009535-A1 Inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2008-01-10 US claimed
EP-1840123-A1 Isoxazolines and their use as inhibitors of phosphodiesterase type-IV Ranbaxy Laboratories Limited (IN) 2007-10-03 EP claimed
US-20080009535-A1 Inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2008-01-10 US disclosed
EP-1840123-A1 Isoxazolines and their use as inhibitors of phosphodiesterase type-IV Ranbaxy Laboratories Limited (IN) 2007-10-03 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-20080009535-A1 Inhibitors of phosphodiesterase type-IV PDE4A, PDE3B, PDE4B HPGD 201/4885NPC1 4187/4885RAB9A 487/4885

“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.