SCHEMBL3546345

SCHEMBL3546345

COc1ccc(C2=NOC3(CCOC3)C2)cc1OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
PDE4B Q07343 9/20 0.36
PDE4D Q08499 5/20 0.36
PDE4A P27815 4/20 0.36
PDE4C Q08493 4/20 0.36
XDH P47989 1/20 0.36
DHODH Q02127 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
MIF P14174 2/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SSTR5 P35346 1/20 0.32
GPR55 Q9Y2T6 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
SCHEMBL3552492 0.96 XDH (0.40) FPR2PDE4BPDE4DPDE4APDE4C
SCHEMBL3672746 0.91 SSTR5 (0.39) DHODHALDH1A1GAASSTR5
SCHEMBL3678032 0.91 SSTR5 (0.39) DHODHALDH1A1GAASSTR5
SCHEMBL3672073 0.91 SSTR5 (0.32) FPR2DHODHALDH1A1GAASSTR5
SCHEMBL3551724 0.90 GAK (0.38) FPR2PDE4BPDE4DPDE4APDE4C
SCHEMBL3552831 0.89 SSTR5 (0.33) FPR2PDE4BPDE4DPDE4APDE4C
SCHEMBL3677746 0.89 ALDH1A1 (0.33) FPR2PDE4BPDE4DPDE4APDE4C
SCHEMBL3674998 0.89 ALDH1A1 (0.33) FPR2PDE4BPDE4DPDE4APDE4C
SCHEMBL3679361 0.89 SSTR5 (0.32) XDHDHODHALDH1A1GAASSTR5
SCHEMBL3551985 0.88 SMN1; SMN2 (0.42) FPR2PDE4BPDE4DPDE4APDE4C

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 FPR2 2010/4885PDE4B 1/4885PDE4D 10/4885
US-20050075383-A1 Inhibitors of phophodiesterase type-IV PDE7A, PDE4A, PDE4B FPR2 2652/4885PDE4B 3/4885PDE4D 7/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B FPR2 1828/4885PDE4B 1/4885PDE4D 10/4885

“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.