SCHEMBL3673348

SCHEMBL3673348

c1cc(OCCN2CCOCC2)c(OCC2CC2)cc1C1=NOC2(CCOC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 2/20 0.40
KMO O15229 4/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
BRCA1 P38398 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADORA2A P29274 2/20 0.37
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GRM2 Q14416 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL3677244 0.93 KMO (0.42) MAP3K11KMOALDH1A1MAPTHTT
SCHEMBL3673334 0.90 PDE4A (0.34) KMOGRM2IKBKETBK1
SCHEMBL3673182 0.88 ADORA2A (0.40) MAP3K11KMOALDH1A1MAPTHTT
SCHEMBL3677015 0.87 ALDH1A1 (0.42) KMOALDH1A1MAPTHTTMEN1
SCHEMBL3559464 0.87 ADORA2A (0.48) MAP3K11ALDH1A1HSD17B10ADORA2A
SCHEMBL3677239 0.87 PDE4A (0.34) GRM2
SCHEMBL3675689 0.87 ADORA2A (0.48) MAP3K11ALDH1A1HSD17B10ADORA2ATSHR
SCHEMBL3671254 0.87 PDE4A (0.34) GRM2
SCHEMBL3682996 0.87 PDE4D (0.41) MAP3K11KMOALDH1A1MAPTHTT
SCHEMBL3671452 0.86 GRM2 (0.35) GRM2EHMT2SPIN1

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-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS 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-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
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 MAP3K11 74/4885KMO 1039/4885ALDH1A1 3181/4885
US-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV PDE3B, PDE4A, PDE3A MAP3K11 1439/4885KMO 703/4885ALDH1A1 894/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAP3K11 56/4885KMO 1226/4885ALDH1A1 2460/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAP3K11 56/4885KMO 1180/4885ALDH1A1 2681/4885

“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.