SCHEMBL3979460

SCHEMBL3979460

NC(=O)Cc1ccccc1C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
NAAA Q02083 1/20 0.44
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRL1 P41146 1/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
EPHX2 P34913 1/20 0.36
ATM Q13315 1/20 0.36
F2RL1 P55085 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL5051928 0.98 PTGDR2 (0.48) PTGDR2NAAAKDM4EGAASLC6A2
Hydrochloric Acid SCHEMBL5051903 0.98 PTGDR2 (0.44) PTGDR2NAAAKDM4EGAASLC6A2
SCHEMBL5049361 0.98 PTGDR2 (0.48) PTGDR2NAAAKDM4EGAASLC6A2
SCHEMBL5049599 0.97 PTGDR2 (0.42) PTGDR2NAAASLC6A2SLC6A4SLC6A3
Cadaverine Tartrate SCHEMBL5053653 0.87 PTGDR2 (0.39) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL5226189 0.85 KDM4E (0.40) PTGDR2NAAAKDM4EGAASLC6A2
SCHEMBL9780785 0.85 PTGDR2 (0.48) PTGDR2NAAAKDM4ESLC6A2SLC6A4
SCHEMBL3633503 0.84 PTGDR2 (0.54) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL3107649 0.84 PTGDR2 (0.50) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL2550680 0.83 PTGDR2 (0.56) PTGDR2NAAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
US-20060041164-A1 Acid and ester compounds and methods of using the same GLAXOSMITHKLINE LLC 2006-02-23 US disclosed
EP-1487776-A4 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2005-05-25 EP disclosed
EP-1487776-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003082802-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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 (1 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-20060041164-A1 Acid and ester compounds and methods of using the same NR1H3, NR1H2, PPARA PTGDR2 1106/4885NAAA 854/4885KDM4E 2279/4885

“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.