SCHEMBL5651879

SCHEMBL5651879

O=C(O)Cc1ccccc1CNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.57
PTGER4 P35408 5/20 0.51
MCHR1 Q99705 1/20 0.46
FOLH1 Q04609 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL8112529 0.87 HDAC1 (0.64) HDAC1PTGER4MCHR1
SCHEMBL5655200 0.85 HDAC1 (0.58) HDAC1PTGER4MCHR1
SCHEMBL27676044 0.83 HDAC1 (0.53) HDAC1PTGER4MCHR1FOLH1OPRM1
SCHEMBL5654899 0.83 HDAC1 (0.56) HDAC1PTGER4MCHR1
SCHEMBL5655045 0.83 PTGER4 (0.52) HDAC1PTGER4FOLH1
SCHEMBL5738890 0.80 HDAC1 (0.51) HDAC1PTGER4FOLH1OPRM1OPRK1
SCHEMBL5653223 0.80 PTGER4 (0.51) HDAC1PTGER4FOLH1
SCHEMBL5654879 0.80 HDAC1 (0.49) HDAC1PTGER4
SCHEMBL5652247 0.80 HDAC1 (0.49) HDAC1PTGER4FOLH1
SCHEMBL5656223 0.79 HDAC1 (0.48) HDAC1PTGER4FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 HDAC1 1416/4885PTGER4 1/4885MCHR1 781/4885

“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.