SCHEMBL16508351

SCHEMBL16508351

CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)CCCC(=O)NC12CNCCNCC(N)(CNCCNC1)CNCCNC2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BECN1 Q14457 7/20 0.36
▸ OPRK1 P41145 2/20 0.35
▸ GRPR P30550 1/20 0.34
▸ YWHAZ P63104 1/20 0.34
▸ RAMP3 O60896 4/20 0.34
▸ CALCR P30988 4/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NMUR2 Q9GZQ4 1/20 0.33
▸ NMUR1 Q9HB89 1/20 0.33
▸ TFPI P10646 1/20 0.33

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
SCHEMBL19102245 0.93 BECN1 (0.35) BECN1OPRK1GRPRYWHAZRAMP3
SCHEMBL19102244 0.87 BECN1 (0.34) BECN1OPRK1GRPRYWHAZRAMP3
SCHEMBL19102241 0.86 GRPR (0.52) GRPR
SCHEMBL21186302 0.77 GRPR (0.56) GRPR
SCHEMBL34464906 0.77 NMUR2 (0.47) BECN1HDAC3HDAC1HDAC2HDAC10
SCHEMBL2195684 0.74 HDAC3 (0.41) BECN1OPRK1HDAC3HDAC1HDAC2
SCHEMBL2196378 0.69 NPY4R (0.42) BECN1OPRK1HDAC3HDAC1HDAC2
SCHEMBL29994317 0.69 IL23R (0.52) GRPR
SCHEMBL10744274 0.69 OPRL1 (0.42) TFPI
Cibinetide SCHEMBL29367092 0.68 TFPI (0.45) BECN1RAMP3CALCRNMUR2NMUR1

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-20110293517-A1 Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2011-12-01 — — 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-20110293517-A1 Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals NCL, NUDC, C3AR1 BECN1 960/4885OPRK1 1931/4885GRPR 57/4885

“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.

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