SCHEMBL31720568

SCHEMBL31720568

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCSC)C(C)C)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 5/20 0.70
▸ CXCR4 P61073 8/20 0.68
▸ MC4R P32245 1/20 0.66
▸ MC5R P33032 1/20 0.66
▸ MC3R P41968 1/20 0.66
▸ MC1R Q01726 1/20 0.66
▸ NMBR P28336 1/20 0.65
▸ NPY1R P25929 1/20 0.64
▸ NPY2R P49146 1/20 0.64
▸ NPY4R P50391 1/20 0.64
▸ NPY5R Q15761 1/20 0.64
▸ PTH1R Q03431 1/20 0.63
▸ CALCA P06881 1/20 0.62
▸ TFPI P10646 1/20 0.61

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
SCHEMBL29367990 0.92 CALCA (0.69) GRPRCXCR4MC4RMC5RMC3R
SCHEMBL20764721 0.90 GRPR (0.70) GRPRCXCR4NMBRNPY1RNPY2R
SCHEMBL29351953 0.89 NPY2R (0.74) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL29355231 0.89 NPY1R (0.76) CXCR4MC4RMC5RMC3RMC1R
Water SCHEMBL29941416 0.89 NPY1R (0.75) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL29464570 0.88 NPY2R (0.71) CXCR4MC4RMC5RMC3RMC1R
Acetic Acid SCHEMBL29399515 0.87 NPY1R (0.75) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL270044 0.86 NPY1R (0.68) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL31083828 0.86 GLP1R (0.70) GRPRNMBRNPY1RNPY2RNPY4R
SCHEMBL29366899 0.86 GLP1R (0.70) GRPRNMBRNPY1RNPY2RNPY4R

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-20250339567-A1 COMPOUNDS WITH IMPROVED PHARMACOKINETICS FOR IMAGING AND THERAPY OF CANCER UNIV MUENCHEN TECH (DE) 2025-11-06 — — 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-20250339567-A1 COMPOUNDS WITH IMPROVED PHARMACOKINETICS FOR IMAGING AND THERAPY OF CANCER RXFP2, XPNPEP2, ANTXR2 GRPR 11/4885CXCR4 497/4885MC4R 909/4885

“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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