SCHEMBL523774

SCHEMBL523774

O=CC[C@@H]1[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
HTR2C P28335 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
GRIN2B Q13224 4/20 0.43
HTT P42858 1/20 0.43
ELANE P08246 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RX4 Q99571 2/20 0.42

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
SCHEMBL523989 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL27008111 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL523775 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2278360 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL524749 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL523714 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL523715 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10123053 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL524109 0.86 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL16040873 0.86 SMN1; SMN2 (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 4 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
US-5475116-A Aza bicyclo[3,1,0]hexane intermediates useful in the synthesis of quinolones PFIZER INC. (US) 1995-12-12 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.