SCHEMBL2009677

SCHEMBL2009677

CCOC(=O)COC1CCN(C(=O)C(N)Cc2ccc(O)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.67
ITGA2B P08514 6/20 0.67
OPRD1 P41143 2/20 0.55
HDAC8 Q9BY41 3/20 0.47
DPP4 P27487 2/20 0.47
SMYD3 Q9H7B4 3/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
ARG1 P05089 1/20 0.45
OPRK1 P41145 1/20 0.43

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
SCHEMBL7797514 0.85 ITGB3 (0.64) ITGB3ITGA2BOPRD1HDAC8DPP4
SCHEMBL7797516 0.85 ITGB3 (0.64) ITGB3ITGA2BOPRD1HDAC8DPP4
SCHEMBL8377724 0.80 ITGB3 (0.47) ITGB3ITGA2BOPRD1HRH2HRH1
SCHEMBL8377726 0.80 ITGB3 (0.47) ITGB3ITGA2BOPRD1HRH2HRH1
SCHEMBL7363744 0.78 OPRD1 (0.61) OPRD1HDAC8DPP4SMYD3HRH2
SCHEMBL8643771 0.77 ITGB3 (0.45) ITGB3ITGA2BOPRD1
SCHEMBL8879394 0.76 DPP4 (0.53) ITGB3ITGA2BOPRD1DPP4
SCHEMBL8879407 0.76 DPP4 (0.53) ITGB3ITGA2BOPRD1DPP4
SCHEMBL8383078 0.76 OPRD1 (0.49) ITGB3ITGA2BOPRD1HDAC8DPP4
Hydrochloric Acid SCHEMBL6165142 0.75 HDAC8 (0.61) OPRD1HDAC8DPP4SMYD3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 63/4885OPRD1 1473/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ITGB3 169/4885ITGA2B 63/4885OPRD1 1473/4885

“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.