SCHEMBL523962

SCHEMBL523962

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 9/20 0.52
HRH1 P35367 9/20 0.52
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSK P43235 4/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
MAPK1 P28482 1/20 0.39
P2RY12 Q9H244 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
SCHEMBL316310 0.92 HRH2 (0.57) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL524497 0.92 HRH2 (0.57) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL524089 0.88 HRH2 (0.55) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL524090 0.88 HRH2 (0.55) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL524844 0.84 HRH2 (0.60) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL524845 0.84 HRH2 (0.60) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL524046 0.84 HRH2 (0.50) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL524045 0.84 HRH2 (0.50) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL522826 0.84 POLB (0.45) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL522825 0.84 POLB (0.45) 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 5 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
EP-2417128-A2 6-(3-AZA-BICYCLOÝ3.1.0¨HEX-3-YL)-2-PHENYL-PYRIMIDINES Actelion Pharmaceuticals Ltd. (CH) 2012-02-15 EP 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
WO-2010116328-A2 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-14 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 (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.