SCHEMBL4177716

SCHEMBL4177716

CC(C)(C)OC(=O)N1CCCCC(N)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.63
EPHX1 P07099 1/20 0.56
RECQL P46063 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
PREP P48147 2/20 0.47
GPR119 Q8TDV5 5/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL328895 0.95 HPGD (0.60) HPGDEPHX1RECQLMAPTKDM4E
SCHEMBL4171032 0.95 HPGD (0.60) HPGDEPHX1RECQLMAPTKDM4E
SCHEMBL4171034 0.95 HPGD (0.60) HPGDEPHX1RECQLMAPTKDM4E
SCHEMBL3667858 0.92 HPGD (0.59) HPGDEPHX1RECQLMAPTKDM4E
SCHEMBL8018 0.92 HPGD (0.58) HPGDEPHX1RECQLMAPTKDM4E
Hydrochloric Acid SCHEMBL307023 0.90 HPGD (0.57) HPGDEPHX1RECQLMAPTKDM4E
SCHEMBL1563471 0.87 HPGD (0.55) HPGDEPHX1RECQLMAPTKDM4E
SCHEMBL16041868 0.87 HPGD (0.55) HPGDEPHX1RECQLMAPTKDM4E
SCHEMBL1365293 0.87 HPGD (0.55) HPGDEPHX1RECQLMAPTKDM4E
Acetic Acid SCHEMBL6198968 0.87 HPGD (0.54) HPGDEPHX1RECQLMAPTKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US disclosed
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US disclosed
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US disclosed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 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-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 HPGD 520/4885EPHX1 511/4885RECQL 2834/4885

“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.