SCHEMBL13807698

SCHEMBL13807698

CCCCCCCCCCCCCC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CN)C(=O)NC(CCC(C)C)C(N)=O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 7/20 0.57
▸ NMUR1 Q9HB89 7/20 0.57
▸ C5AR1 P21730 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ OPRD1 P41143 2/20 0.53
▸ KDM1A O60341 1/20 0.52
▸ RAMP3 O60896 3/20 0.52
▸ CALCR P30988 3/20 0.52
▸ TFPI P10646 1/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NPY5R Q15761 1/20 0.52
▸ EPHA2 P29317 1/20 0.51

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
SCHEMBL13807693 0.87 NTSR2 (0.56) NTSR1KDM1ANPY1RNPY2RNPY4R
SCHEMBL14524262 0.84 EPHA2 (0.59) NTSR1KDM1ANPY1RNPY2RNPY4R
SCHEMBL30953200 0.83 NMUR2 (0.55) NMUR2NMUR1C5AR1NTSR1RAMP3
SCHEMBL14546576 0.83 NMUR2 (0.59) NMUR2NMUR1NTSR1OPRD1NPY1R
SCHEMBL13807691 0.83 EPHA2 (0.57) NTSR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL13807701 0.82 EPHA2 (0.57) NTSR1KDM1ANPY1RNPY2RNPY4R
SCHEMBL13402655 0.81 NMUR2 (0.61) NMUR2NMUR1NTSR1NPY1RNPY2R
SCHEMBL13402688 0.81 NMUR2 (0.61) NMUR2NMUR1NTSR1NPY1RNPY2R
SCHEMBL9807268 0.81 KDM1A (0.57) KDM1ATFPIEPHA2
SCHEMBL31519869 0.80 OPRD1 (0.64) NTSR1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156507-A1 Cell permeable conjugates of peptides for inhibition of protein kinases CUREGENICS LTD. 2009-06-18 — — US disclosed
US-20070078092-A1 Cell permeable conjugates of peptides for inhibition of protein kinases CUREGENICS LTD. (IL) 2007-04-05 — — 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 (2 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-20070078092-A1 Cell permeable conjugates of peptides for inhibition of protein kinases MAP3K20, MAP3K19, MAP4K2 NMUR2 3650/4885NMUR1 3400/4885C5AR1 2480/4885
US-20090156507-A1 Cell permeable conjugates of peptides for inhibition of protein kinases MAP3K20, MAP3K19, MAP4K2 NMUR2 3650/4885NMUR1 3400/4885C5AR1 2480/4885

“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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