SCHEMBL524045

SCHEMBL524045

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.50
HRH1 P35367 8/20 0.50
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RY12 Q9H244 7/20 0.43
CTSK P43235 3/20 0.43
CTSS P25774 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
SCHEMBL524046 1.00 HRH2 (0.50) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL523554 0.92 HRH2 (0.49) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL316794 0.92 HRH2 (0.57) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL316793 0.92 HRH2 (0.57) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL523727 0.92 CTSK (0.50) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL523553 0.92 HRH2 (0.49) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL523726 0.92 CTSK (0.50) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL524844 0.91 HRH2 (0.60) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL3331648 0.91 HRH2 (0.49) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL3331652 0.91 HRH2 (0.49) HRH2HRH1LMNAPOLBSMN1; SMN2

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 HRH2 305/4885HRH1 643/4885LMNA 3717/4885

“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.