SCHEMBL31072471

SCHEMBL31072471

CCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.46
▸ NMUR1 Q9HB89 5/20 0.46
▸ APLNR P35414 1/20 0.46
▸ PLK1 P53350 1/20 0.42
▸ OPRM1 P35372 3/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ F2 P00734 2/20 0.42
▸ F10 P00742 2/20 0.42
▸ PRSS1 P07477 2/20 0.42
▸ PLG P00747 1/20 0.42
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL31072443 0.97 APLNR (0.48) NMUR2NMUR1APLNROPRM1OPRK1
SCHEMBL29800433 0.84 NRP1 (0.48) NMUR2NMUR1PLK1F2
SCHEMBL9007763 0.84 CXCR4 (0.43) NMUR2NMUR1PLK1OPRM1OPRK1
SCHEMBL29520310 0.84 CXCR4 (0.43) NMUR2NMUR1PLK1OPRM1OPRK1
SCHEMBL11438170 0.84 CXCR4 (0.43) NMUR2NMUR1PLK1OPRM1OPRK1
Hydrochloric Acid SCHEMBL7699051 0.83 CXCR4 (0.42) NMUR2NMUR1PLK1OPRM1OPRK1
SCHEMBL30307576 0.83 NRP1 (0.47) NMUR2NMUR1OPRM1OPRD1F2
SCHEMBL1373233 0.83 APLNR (0.44) NMUR2NMUR1APLNROPRM1OPRK1
SCHEMBL1373230 0.83 APLNR (0.44) NMUR2NMUR1APLNROPRM1OPRK1
SCHEMBL30979608 0.82 NMUR2 (0.42) NMUR2NMUR1APLNROPRM1OPRD1

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-20240279278-A1 NMU RECEPTOR 2 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-08-22 — — US claimed

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-20240279278-A1 NMU RECEPTOR 2 AGONISTS NMUR2, NMUR1, NMBR NMUR2 1/4885NMUR1 2/4885APLNR 68/4885

“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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