SCHEMBL916793

SCHEMBL916793

O=C(Oc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
EPHX1 P07099 1/20 0.34
PDE4D Q08499 2/20 0.34
LRRK2 Q5S007 1/20 0.34
GRM2 Q14416 1/20 0.34
WNT3A P56704 1/20 0.34
LMNA P02545 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
SCHEMBL3945473 0.87 PDE4D (0.35) TP53SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL917619 0.86 PDE4D (0.42) PDE4DLRRK2
SCHEMBL3547325 0.85 GRM2 (0.32) TP53SMN1; SMN2TSHRHPGDPDE4D
SCHEMBL917654 0.84 PDE4D (0.35) PDE4D
SCHEMBL916534 0.84 WNT3A (0.35) KMT2APOLBMAPTPDE4DWNT3A
SCHEMBL915832 0.83 PDE4D (0.41) PDE4D
SCHEMBL4140485 0.82 PDE4D (0.40) PDE4D
SCHEMBL916827 0.82 PDE4D (0.37) L3MBTL1HPGDPDE4D
SCHEMBL917398 0.82 PDE4D (0.38) NPC1RAB9APOLBTSHRMAPT
SCHEMBL917973 0.82 PDE4D (0.41) PDE4D

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 17 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-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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US claimed
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 US claimed
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED 2011-01-27 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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US disclosed
EP-2086948-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2009-08-12 EP disclosed
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 US disclosed
WO-2008035315-A9 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LAB LTD (IN) 2008-10-23 WO disclosed
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2008035315-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2008-03-27 WO disclosed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 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 (4 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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C TP53 4053/4885GAA 2668/4885NPSR1 686/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B TP53 4636/4885GAA 1575/4885NPSR1 2076/4885
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C TP53 3132/4885GAA 166/4885NPSR1 1880/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B TP53 4595/4885GAA 1683/4885NPSR1 2104/4885

“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.