SCHEMBL3545532

SCHEMBL3545532

COc1cc(C2=NOC3(CCOC3)C2)ccc1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.36
PDE4A P27815 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
MIF P14174 2/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
SYK P43405 4/20 0.34
FPR2 P25090 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAK O14976 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
FLT3 P36888 1/20 0.32
AURKB Q96GD4 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL3550505 0.96 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DMIF
SCHEMBL3677152 0.94 CHRNB4 (0.32) PDE4BPDE4APDE4CPDE4DFPR2
SCHEMBL3549061 0.91 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DMIF
SCHEMBL3552800 0.90 GRM2 (0.40) PDE4BPDE4APDE4CPDE4DMIF
SCHEMBL3677395 0.88 SSTR5 (0.39) ALDH1A1S1PR1
SCHEMBL3672073 0.87 SSTR5 (0.32) FPR2ALDH1A1S1PR1GAA
SCHEMBL5133188 0.87 PDE4A (0.30) PDE4BPDE4APDE4CPDE4D
SCHEMBL3670152 0.86 FPR2 (0.33) PDE4BPDE4APDE4CPDE4DFPR2
SCHEMBL3669768 0.86 SSTR5 (0.39) NPC1RAB9ASMN1; SMN2S1PR1KDM4E
SCHEMBL3552492 0.86 XDH (0.40) PDE4BPDE4APDE4CPDE4DMIF

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825147-B2 Inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2010-11-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 US claimed
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
EP-1663999-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES, LTD. (IN) 2006-06-07 EP claimed
US-20050075383-A1 Inhibitors of phophodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 US claimed
WO-2005021515-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2005-03-10 WO claimed
US-7825147-B2 Inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2010-11-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP disclosed
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 US disclosed
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
EP-1663999-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES, LTD. (IN) 2006-06-07 EP disclosed
US-20050075383-A1 Inhibitors of phophodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 US disclosed
WO-2005021515-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2005-03-10 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 (3 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-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B PDE4B 1/4885PDE4A 2/4885PDE4C 6/4885
US-20050075383-A1 Inhibitors of phophodiesterase type-IV PDE7A, PDE4A, PDE4B PDE4B 3/4885PDE4A 2/4885PDE4C 4/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B PDE4B 1/4885PDE4A 2/4885PDE4C 5/4885

“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.