SCHEMBL2010165

SCHEMBL2010165

CCOC(=O)COC1CCN(C(=O)CCN2Cc3cc(C#N)ccc3C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
ALDH1A1 P00352 1/20 0.37
CETP P11597 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
PLA2G1B P04054 1/20 0.35
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ALK Q9UM73 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
SCHEMBL2008869 0.91 MAPK1 (0.39) ITGB3ITGA2BALDH1A1CETPHRH2
SCHEMBL2009764 0.84 ITGB3 (0.44) ITGB3ITGA2BALDH1A1PLA2G1BPOLB
SCHEMBL2014161 0.83 ITGB3 (0.45) ITGB3ITGA2BALDH1A1PLA2G1BPOLB
SCHEMBL2011501 0.76 ITGB3 (0.49) ITGB3ITGA2BCETPPOLB
SCHEMBL2008883 0.76 ALOX15 (0.49) ALDH1A1HRH2HRH1PRMT5WDR77
SCHEMBL2008084 0.75 ITGB3 (0.45) ITGB3ITGA2BALDH1A1POLBTNF
SCHEMBL2007714 0.75 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL2008734 0.74 ITGB3 (0.46) ITGB3ITGA2BPOLB
SCHEMBL2008464 0.72 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL2012689 0.71 ALK (0.45) ITGB3ITGA2BALDH1A1HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US claimed
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 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 (3 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 ITGB3 169/4885ITGA2B 63/4885ALDH1A1 2548/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ITGB3 169/4885ITGA2B 63/4885ALDH1A1 2548/4885
US-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 ITGB3 2576/4885ITGA2B 1549/4885ALDH1A1 379/4885

“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.