SCHEMBL3552831

SCHEMBL3552831

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.33
GRM2 Q14416 2/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
FPR2 P25090 2/20 0.31
PDE4D Q08499 5/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PDE4A P27815 2/20 0.30
DHODH Q02127 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
MAP3K12 Q12852 1/20 0.30

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
SCHEMBL3672073 0.92 SSTR5 (0.32) SSTR5GRM2FPR2ALDH1A1GAA
SCHEMBL916902 0.90 SSTR5 (0.40) SSTR5GRIN1GRIN2BFPR2PDE4D
SCHEMBL3546345 0.89 FPR2 (0.39) SSTR5FPR2PDE4DALDH1A1GAA
SCHEMBL3547325 0.89 GRM2 (0.32) SSTR5GRM2GRIN1GRIN2BPDE4D
SCHEMBL917952 0.88 FPR2 (0.42) SSTR5GRM2GRIN1GRIN2BFPR2
SCHEMBL3679361 0.88 SSTR5 (0.32) SSTR5GRM2ALDH1A1GAADHODH
SCHEMBL3672746 0.88 SSTR5 (0.39) SSTR5ALDH1A1GAADHODH
SCHEMBL3678032 0.88 SSTR5 (0.39) SSTR5ALDH1A1GAADHODH
SCHEMBL3547074 0.87 FPR2 (0.38) SSTR5GRM2GRIN1GRIN2BFPR2
SCHEMBL915634 0.87 FPR2 (0.35) SSTR5GRIN1GRIN2BFPR2PDE4D

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 12 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
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 US 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
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 US 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 SSTR5 1935/4885GRM2 1487/4885GRIN1 2423/4885
US-20050075383-A1 Inhibitors of phophodiesterase type-IV PDE7A, PDE4A, PDE4B SSTR5 3733/4885GRM2 2862/4885GRIN1 2997/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B SSTR5 1977/4885GRM2 1442/4885GRIN1 2464/4885

“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.