SCHEMBL917259

SCHEMBL917259

O=C(COc1cc(C2=NOC3(CCOC3)C2)ccc1OCC(F)(F)F)NC1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 4/20 0.36
DHODH Q02127 1/20 0.36
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 1/20 0.35
DRD3 P35462 3/20 0.35
PDE4B Q07343 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
DRD2 P14416 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
SCHEMBL917603 0.97 RAB9A (0.42) ALDH1A1POLBNPC1RAB9AHPGD
SCHEMBL3673761 0.88 CDK4 (0.44) ALDH1A1POLBNPC1RAB9AHPGD
SCHEMBL917083 0.88 NPC1 (0.38) ALDH1A1NPC1RAB9AHPGDLMNA
SCHEMBL3674939 0.87 PTGDR2 (0.35)
SCHEMBL916532 0.85 DHODH (0.41) ALDH1A1RAB9AHPGDDHODHLMNA
SCHEMBL918342 0.83 GRM2 (0.36) PDE4APDE4D
SCHEMBL3956529 0.82 SSTR5 (0.34) RAB9AKMT2APDE4BPDE4APDE4C
SCHEMBL917152 0.81 SSTR5 (0.40) KMT2A
SCHEMBL917691 0.81 KDM4E (0.37) ALDH1A1HPGDPDE4BPDE4APDE4C
SCHEMBL917733 0.80 PTGS2 (0.34) PDE4BPDE4APDE4CPDE4D

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 ALDH1A1 3181/4885POLB 2985/4885NPC1 2107/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B ALDH1A1 2460/4885POLB 1328/4885NPC1 3485/4885
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C ALDH1A1 306/4885POLB 1077/4885NPC1 4088/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B ALDH1A1 2681/4885POLB 1317/4885NPC1 3605/4885

“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.