SCHEMBL29550952

SCHEMBL29550952

CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.63
▸ IL1RN P18510 1/20 0.62
▸ ERAP2 Q6P179 1/20 0.62
▸ OPRD1 P41143 2/20 0.60
▸ CCKAR P32238 1/20 0.60
▸ CCKBR P32239 1/20 0.60
▸ ECE1 P42892 6/20 0.59
▸ OPRM1 P35372 1/20 0.57
▸ MME P08473 1/20 0.56

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
SCHEMBL29199429 0.89 ERAP2 (0.68) ACEIL1RNERAP2OPRD1ECE1
SCHEMBL29199418 0.89 ERAP2 (0.68) ACEIL1RNERAP2OPRD1ECE1
SCHEMBL29993798 0.89 OPRD1 (0.65) ACEIL1RNERAP2OPRD1CCKAR
SCHEMBL28544120 0.88 IL1RN (0.64) ACEIL1RNERAP2OPRD1CCKAR
SCHEMBL28544119 0.88 IL1RN (0.64) ACEIL1RNERAP2OPRD1CCKAR
SCHEMBL27893082 0.87 ACE (0.64) ACEIL1RNERAP2OPRD1CCKAR
SCHEMBL29577668 0.86 ERAP1 (0.68) IL1RNERAP2OPRD1OPRM1
SCHEMBL30010730 0.86 ERAP1 (0.66) IL1RNERAP2OPRD1OPRM1
SCHEMBL30011658 0.86 ERAP1 (0.66) IL1RNERAP2OPRD1OPRM1
SCHEMBL29577129 0.86 ERAP1 (0.68) IL1RNERAP2OPRD1OPRM1

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-20220047679-A1 COMBINATION THERAPY ANTISENSE THERAPEUTICS LTD (AU) 2022-02-17 — — US claimed
US-20220047679-A1 COMBINATION THERAPY ANTISENSE THERAPEUTICS LTD (AU) 2022-02-17 — — 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-20220047679-A1 COMBINATION THERAPY GHSR, GHRHR, IGF1R ACE 2117/4885IL1RN 239/4885ERAP2 731/4885

“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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