SCHEMBL2583559

SCHEMBL2583559

CCOC(=O)N1CCN(C(=O)C(CC(N)=O)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.58
TSHR P16473 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
P2RX7 Q99572 4/20 0.50
GAA P10253 1/20 0.50
TGM2 P21980 1/20 0.49
CTSK P43235 6/20 0.48
CTSL P07711 4/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48

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
SCHEMBL2583553 1.00 P2RY12 (0.58) P2RY12TSHRALDH1A1CYP1A2POLB
SCHEMBL2538480 0.90 P2RY12 (0.59) P2RY12TGM2
SCHEMBL2538475 0.90 P2RY12 (0.59) P2RY12TGM2
SCHEMBL3334002 0.87 TSHR (0.53) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3333993 0.87 TSHR (0.53) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL1144124 0.86 P2RX7 (0.57) P2RY12TSHRALDH1A1CYP1A2POLB
SCHEMBL1144126 0.86 P2RX7 (0.57) P2RY12TSHRALDH1A1CYP1A2POLB
SCHEMBL953167 0.85 TSHR (0.51) P2RY12TSHRALDH1A1CYP1A2POLB
SCHEMBL953169 0.85 TSHR (0.51) P2RY12TSHRALDH1A1CYP1A2POLB
SCHEMBL953165 0.85 TSHR (0.51) P2RY12TSHRALDH1A1CYP1A2POLB

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
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 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-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 P2RY12 1/4885TSHR 1238/4885ALDH1A1 1522/4885

“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.