SCHEMBL3673629

SCHEMBL3673629

c1cc(OCC2CCCCC2)c(OCC2CC2)cc1C1=NOC2(CCOC2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
XDH P47989 3/20 0.34
PDE4A P27815 5/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34
OPRM1 P35372 1/20 0.33
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL3674879 1.00 GRM2 (0.35) GRM2XDHPDE4APDE4BPDE4C
SCHEMBL3673334 0.96 PDE4A (0.34) GRM2XDHPDE4APDE4BPDE4C
SCHEMBL3670950 0.94 S1PR1 (0.37) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL3679324 0.94 S1PR1 (0.37) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL3671315 0.93 PDE4A (0.36) GRM2XDHPDE4APDE4BPDE4C
SCHEMBL3670843 0.93 PDE4A (0.36) GRM2XDHPDE4APDE4BPDE4C
SCHEMBL3674967 0.92 PDE4A (0.43) GRM2XDHPDE4APDE4BPDE4C
SCHEMBL3680065 0.92 PDE4D (0.41) GRM2XDHPDE4APDE4BPDE4C
SCHEMBL3667469 0.92 PDE4A (0.43) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL3669345 0.92 PDE4A (0.35) GRM2XDHPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US claimed
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
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 US disclosed
US-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US 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
EP-1869054-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2007-12-26 EP disclosed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
WO-2006085212-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2006-08-17 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 GRM2 343/4885XDH 1480/4885PDE4A 17/4885
US-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV PDE3B, PDE4A, PDE3A GRM2 3153/4885XDH 172/4885PDE4A 2/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B GRM2 1487/4885XDH 603/4885PDE4A 2/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B GRM2 1442/4885XDH 606/4885PDE4A 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.