SCHEMBL30439719

SCHEMBL30439719

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.62
▸ NMBR P28336 2/20 0.58
▸ GRPR P30550 2/20 0.58
▸ GLP1R P43220 3/20 0.58
▸ GCGR P47871 3/20 0.58
▸ NPBWR1 P48145 10/20 0.58
▸ CXCR4 P61073 2/20 0.57
▸ CTSL P07711 1/20 0.56
▸ CTSS P25774 1/20 0.56
▸ CTSK P43235 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
SCHEMBL30440054 0.98 C5AR1 (0.64) C5AR1NMBRGRPRGLP1RGCGR
SCHEMBL30439604 0.97 C5AR1 (0.64) C5AR1NMBRGRPRGLP1RGCGR
SCHEMBL30439192 0.97 C5AR1 (0.63) C5AR1NMBRGRPRGLP1RGCGR
SCHEMBL30440404 0.96 C5AR1 (0.60) C5AR1NMBRGRPRGLP1RGCGR
SCHEMBL30439693 0.96 C5AR1 (0.65) C5AR1NMBRGRPRGLP1RGCGR
SCHEMBL30439962 0.96 C5AR1 (0.61) C5AR1NMBRGRPRGLP1RGCGR
SCHEMBL30439707 0.96 CTSL (0.62) C5AR1NMBRGRPRGLP1RGCGR
SCHEMBL30440226 0.96 CTSL (0.62) C5AR1NMBRGRPRGLP1RGCGR
SCHEMBL30439232 0.96 CTSL (0.62) C5AR1NMBRGRPRGLP1RGCGR
SCHEMBL30439588 0.96 CTSL (0.62) C5AR1NMBRGRPRGLP1RGCGR

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-20230173086-A1 PEPTIDE CONJUGATES AND THERAPEUTIC AGENTS HAVING IMPROVED PHARMACOLOGICAL AND PHARMACOKINETIC PROPERTIES EAGLE RESOLUTE INVESTMENT LLC 2023-06-08 — — 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-20230173086-A1 PEPTIDE CONJUGATES AND THERAPEUTIC AGENTS HAVING IMPROVED PHARMACOLOGICAL AND PHARMACOKINETIC PROPERTIES VIP, DNPEP, CD74 C5AR1 140/4885NMBR 991/4885GRPR 40/4885

“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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