SCHEMBL524844

SCHEMBL524844

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.60
HRH1 P35367 8/20 0.60
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.48
CAPN1 P07384 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSK P43235 2/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RY12 Q9H244 3/20 0.43

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
SCHEMBL524845 1.00 HRH2 (0.60) HRH2HRH1LMNAALDH1A1MAPK1
SCHEMBL524046 0.91 HRH2 (0.50) HRH2HRH1LMNACTSKCTSS
SCHEMBL524045 0.91 HRH2 (0.50) HRH2HRH1LMNACTSKCTSS
SCHEMBL316793 0.90 HRH2 (0.57) HRH2HRH1LMNAMAPK1CTSK
SCHEMBL316794 0.90 HRH2 (0.57) HRH2HRH1LMNAMAPK1CTSK
SCHEMBL523726 0.90 CTSK (0.50) HRH2HRH1LMNACTSKCTSS
SCHEMBL523554 0.90 HRH2 (0.49) HRH2HRH1LMNACTSKCTSS
SCHEMBL523727 0.90 CTSK (0.50) HRH2HRH1LMNACTSKCTSS
SCHEMBL523553 0.90 HRH2 (0.49) HRH2HRH1LMNACTSKCTSS
SCHEMBL3331648 0.89 HRH2 (0.49) HRH2HRH1LMNACTSKPOLB

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.