SCHEMBL524811

SCHEMBL524811

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH2 P25021 10/20 0.47
HRH1 P35367 10/20 0.47
P2RY12 Q9H244 6/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35

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
SCHEMBL524810 1.00 LMNA (0.49) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL317199 0.88 TSHR (0.47) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL317200 0.88 TSHR (0.47) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL523122 0.85 POLB (0.55) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL523121 0.85 POLB (0.55) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL522822 0.83 LMNA (0.54) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL523224 0.83 LMNA (0.54) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL694181 0.83 POLB (0.54) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL522823 0.83 LMNA (0.54) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL523223 0.83 LMNA (0.54) LMNAPOLBSMN1; SMN2HRH2HRH1

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 LMNA 3717/4885POLB 3364/4885SMN1; SMN2 3419/4885

“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.