SCHEMBL31248051

SCHEMBL31248051

C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 10/20 0.66
▸ UTS2R Q9UKP6 1/20 0.53

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
SCHEMBL31247913 0.89 NPBWR1 (0.57) GHSR
SCHEMBL30974046 0.89 GHSR (0.63) GHSR
SCHEMBL30617730 0.88 GHSR (0.62) GHSRUTS2R
SCHEMBL26444818 0.88 GHSR (0.82) GHSR
SCHEMBL31238554 0.86 GHSR (0.64) GHSR
SCHEMBL31018677 0.86 GHSR (0.57) GHSRUTS2R
SCHEMBL29695659 0.84 GHSR (0.58) GHSR
SCHEMBL31202576 0.84 GHSR (0.66) GHSRUTS2R
SCHEMBL30093010 0.83 GHSR (0.63) GHSR
SCHEMBL24739439 0.83 GHSR (0.57) GHSR

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-20240400638-A1 COMBINATION OF RELAXIN AND VASOPRESSIN ANALOGUES FOR TREATMENT OF RENAL DISORDERS OR CONDITIONS MAGNI GUIDO (CH) 2024-12-05 — — 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 (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-20240400638-A1 COMBINATION OF RELAXIN AND VASOPRESSIN ANALOGUES FOR TREATMENT OF RENAL DISORDERS OR CONDITIONS AVPR2, RXFP1, RXFP2 GHSR 83/4885UTS2R 298/4885

“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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