SCHEMBL522884

SCHEMBL522884

CCCCOC(=O)N1CCN(C(=O)C(CC#N)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.47
CTSS P25774 4/20 0.47
HRH2 P25021 9/20 0.47
HRH1 P35367 9/20 0.47
P2RY12 Q9H244 5/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL522883 1.00 CTSK (0.47) CTSKCTSSHRH2HRH1P2RY12
SCHEMBL316668 0.90 CTSK (0.47) CTSKCTSSHRH2HRH1
SCHEMBL316667 0.90 CTSK (0.47) CTSKCTSSHRH2HRH1
SCHEMBL524045 0.88 HRH2 (0.50) CTSKCTSSHRH2HRH1P2RY12
SCHEMBL524046 0.88 HRH2 (0.50) CTSKCTSSHRH2HRH1P2RY12
SCHEMBL523727 0.87 CTSK (0.50) CTSKCTSSHRH2HRH1P2RY12
SCHEMBL523726 0.87 CTSK (0.50) CTSKCTSSHRH2HRH1P2RY12
SCHEMBL523554 0.87 HRH2 (0.49) CTSKCTSSHRH2HRH1P2RY12
SCHEMBL316794 0.87 HRH2 (0.57) CTSKHRH2HRH1P2RY12LMNA
SCHEMBL316793 0.87 HRH2 (0.57) CTSKHRH2HRH1P2RY12LMNA

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-2417128-B1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-02 EP disclosed
US-8288385-B2 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-02-02 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-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 CTSK 4383/4885CTSS 4496/4885HRH2 305/4885

“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.