SCHEMBL3053284

SCHEMBL3053284

CCCCOC(=O)N1CCN(C(=O)[C@@H](CP(=O)(OCC)OCC)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 13/20 0.45
HRH2 P25021 6/20 0.45
HRH1 P35367 6/20 0.45
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL523526 1.00 P2RY12 (0.45) P2RY12HRH2HRH1LMNAPOLB
SCHEMBL523527 1.00 P2RY12 (0.45) P2RY12HRH2HRH1LMNAPOLB
SCHEMBL31192233 1.00 P2RY12 (0.45) P2RY12HRH2HRH1LMNAPOLB
SCHEMBL1111134 0.92 CYP1A2 (0.40) P2RY12HRH2HRH1LMNA
SCHEMBL1111139 0.92 CYP1A2 (0.40) P2RY12HRH2HRH1LMNA
SCHEMBL1111141 0.92 CYP1A2 (0.40) P2RY12HRH2HRH1LMNA
SCHEMBL29165043 0.90 P2RY12 (0.44) P2RY12HRH2HRH1
SCHEMBL30888819 0.90 P2RY12 (0.44) P2RY12HRH2HRH1
SCHEMBL524046 0.85 HRH2 (0.50) P2RY12HRH2HRH1LMNAPOLB
SCHEMBL524045 0.85 HRH2 (0.50) P2RY12HRH2HRH1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
EP-2225253-B1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-27 EP disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 US 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-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 P2RY12 1/4885HRH2 604/4885HRH1 949/4885

“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.