SCHEMBL522557

SCHEMBL522557

CC(C)[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
CYP2C19 P33261 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 2/20 0.51
GAA P10253 2/20 0.50
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
SLC15A1 P46059 1/20 0.49
DPP4 P27487 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL522558 1.00 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL20612426 0.89 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16466450 0.89 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16465286 0.89 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL8251750 0.86 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
Valine SCHEMBL8913982 0.86 SMN1; SMN2 (0.55) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL7469804 0.86 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3325041 0.86 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16408319 0.85 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL4970964 0.85 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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 MEN1 4360/4885KMT2A 3240/4885NPSR1 331/4885

“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.