SCHEMBL523693

SCHEMBL523693

O=C(O)CC1C2CN(C(=O)OCc3ccccc3)CC12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR2C P28335 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
GRIN2B Q13224 3/20 0.44
HTT P42858 1/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
P2RX4 Q99571 2/20 0.43
P2RX1 P51575 1/20 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
SCHEMBL523692 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL16040873 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL19895637 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL524109 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2278360 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL523715 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL523714 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL524749 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL21157997 0.87 HTT (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL19895630 0.87 HTT (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 SMN1; SMN2 3419/4885NPC1 4158/4885RAB9A 3258/4885

“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.