SCHEMBL16801243

SCHEMBL16801243

Nc1ccc(CCCOCc2cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)cc1C(=O)C[C@H](N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.57
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
SIRT2 Q8IXJ6 1/20 0.49
LYPLA2 O95372 1/20 0.48
PKM P14618 1/20 0.48
SENP1 Q9P0U3 1/20 0.47
MAP1B P46821 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
FOLH1 Q04609 3/20 0.44
SETD7 Q8WTS6 1/20 0.43
KDM1A O60341 2/20 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
SCHEMBL22368146 1.00 OPRM1 (0.57) OPRM1CA12CA1CA2CA9
SCHEMBL22368122 0.96 OPRM1 (0.57) OPRM1CA12CA1CA2CA9
SCHEMBL16801317 0.96 OPRM1 (0.57) OPRM1CA12CA1CA2CA9
SCHEMBL23153094 0.92 OPRM1 (0.57) OPRM1CA12CA1CA2CA9
SCHEMBL22368144 0.92 OPRM1 (0.57) OPRM1CA12CA1CA2CA9
SCHEMBL23153092 0.89 OPRM1 (0.57) OPRM1CA12CA1CA2CA9
SCHEMBL23153093 0.88 OPRM1 (0.57) OPRM1CA12CA1CA2CA9
SCHEMBL22368116 0.85 OPRM1 (0.51) OPRM1CA12CA1CA2CA9
SCHEMBL16801315 0.85 OPRM1 (0.51) OPRM1CA12CA1CA2CA9
SCHEMBL18133043 0.83 OPRM1 (0.44) OPRM1CA12CA1CA2CA9

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-11912989-B2 Antigen-binding molecules, the antigen-binding activity of which varies according to the concentration of compounds, and libraries of said molecules CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-27 US disclosed
US-20210180049-A1 ANTIGEN-BINDING MOLECULES, THE ANTIGEN-BINDING ACTIVITY OF WHICH VARIES ACCORDING TO THE CONCENTRATION OF COMPOUNDS, AND LIBRARIES OF SAID MOLECULES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-06-17 US disclosed
US-10961530-B2 Antigen-binding molecules, the antigen-binding activity of which varies according to the concentration of compounds, and libraries of said molecules CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-30 US disclosed
US-20160304862-A1 ANTIGEN-BINDING MOLECULES, THE ANTIGEN-BINDING ACTIVITY OF WHICH VARIES ACCORDING TO THE CONCENTRATION OF COMPOUNDS, AND LIBRARIES OF SAID MOLECULES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-10-20 US disclosed
EP-3078744-A1 ANTIGEN-BINDING MOLECULES, THE ANTIGEN-BINDING ACTIVITY OF WHICH VARIES ACCORDING TO THE CONCENTRATION OF COMPOUNDS, AND LIBRARIES OF SAID MOLECULES Chugai Seiyaku Kabushiki Kaisha (JP) 2016-10-12 EP disclosed
WO-2015083764-A1 ANTIGEN-BINDING MOLECULES, THE ANTIGEN-BINDING ACTIVITY OF WHICH VARIES ACCORDING TO THE CONCENTRATION OF COMPOUNDS, AND LIBRARIES OF SAID MOLECULES 中外製薬株式会社 2015-06-11 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 (4 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-20210180049-A1 ANTIGEN-BINDING MOLECULES, THE ANTIGEN-BINDING ACTIVITY OF WHICH VARIES ACCORDING TO THE CONCENTRATION OF COMPOUNDS, AND LIBRARIES OF SAID MOLECULES MICA, CD69, CD74 OPRM1 3199/4885CA12 167/4885CA1 550/4885
US-11912989-B2 Antigen-binding molecules, the antigen-binding activity of which varies according to the concentration of compounds, and libraries of said molecules MICA, CD69, CD74 OPRM1 3199/4885CA12 167/4885CA1 550/4885
US-20160304862-A1 ANTIGEN-BINDING MOLECULES, THE ANTIGEN-BINDING ACTIVITY OF WHICH VARIES ACCORDING TO THE CONCENTRATION OF COMPOUNDS, AND LIBRARIES OF SAID MOLECULES MICA, CD69, CD74 OPRM1 3199/4885CA12 167/4885CA1 550/4885
US-10961530-B2 Antigen-binding molecules, the antigen-binding activity of which varies according to the concentration of compounds, and libraries of said molecules MICA, CD69, CD74 OPRM1 3199/4885CA12 167/4885CA1 550/4885

“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.