SCHEMBL31691539

SCHEMBL31691539

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.61
▸ C5AR1 P21730 2/20 0.59
▸ CALCR P30988 4/20 0.58
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ MAPK10 P53779 1/20 0.57
▸ CXCR4 P61073 2/20 0.54
▸ SLC40A1 Q9NP59 1/20 0.54
▸ AGTR1 P30556 1/20 0.53
▸ AGTR2 P50052 1/20 0.53
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ GLP1R P43220 1/20 0.52
▸ F2 P00734 1/20 0.52

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
SCHEMBL31691514 0.98 APLNR (0.62) APLNRC5AR1CALCRMAPK8MAPK9
SCHEMBL30008485 0.97 CALCR (0.62) APLNRC5AR1CALCRMAPK8MAPK9
SCHEMBL29767745 0.96 CALCR (0.63) APLNRC5AR1CALCRMAPK8MAPK9
SCHEMBL29767747 0.95 CALCR (0.64) APLNRC5AR1CALCRMAPK8MAPK9
SCHEMBL30565601 0.92 CALCR (0.57) CALCRAGTR1AGTR2
SCHEMBL30565598 0.92 CALCR (0.57) CALCRAGTR1AGTR2
SCHEMBL30565596 0.92 AGTR1 (0.59) CALCRAGTR1AGTR2
SCHEMBL30565599 0.92 AGTR1 (0.59) CALCRAGTR1AGTR2
SCHEMBL30444321 0.91 APLNR (0.63) APLNRC5AR1CALCRMAPK8MAPK9
SCHEMBL29377908 0.91 C5AR1 (0.63) APLNRC5AR1CALCRAGTR1AGTR2

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-20250304624-A1 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. 2025-10-02 — — 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-20250304624-A1 CONJUGATED HEPCIDIN MIMETICS HAMP, VIP, HDGF APLNR 13/4885C5AR1 122/4885CALCR 148/4885

“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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