SCHEMBL917619

SCHEMBL917619

O=C(N1CCOCC1)N1CCC(Oc2cc(C3=NOC4(CCOC4)C3)ccc2OC(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.42
PDE4A P27815 7/20 0.39
PDE4B Q07343 7/20 0.39
PDE4C Q08493 7/20 0.39
GPR6 P46095 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TBK1 Q9UHD2 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL4140485 0.92 PDE4D (0.40) PDE4DPDE4APDE4BPDE4C
SCHEMBL915832 0.91 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CTBK1
SCHEMBL917973 0.91 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CHRH3
SCHEMBL916251 0.90 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CHRH3
SCHEMBL916825 0.89 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CHRH3
SCHEMBL918339 0.89 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL3680467 0.89 PDE4D (0.37) PDE4DPDE4APDE4BPDE4CTBK1
SCHEMBL3676661 0.89 PDE4D (0.37) PDE4DPDE4APDE4BPDE4CTBK1
SCHEMBL918227 0.88 MEN1 (0.39) PDE4DPDE4APDE4BPDE4C
SCHEMBL917329 0.88 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CHRH3

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-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED 2011-01-27 US claimed
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED 2011-01-27 US disclosed
WO-2008035315-A9 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LAB LTD (IN) 2008-10-23 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-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C PDE4D 6/4885PDE4A 1/4885PDE4B 2/4885

“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.