SCHEMBL30439761

SCHEMBL30439761

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)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 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.51
▸ APLNR P35414 2/20 0.50
▸ OPRM1 P35372 12/20 0.49
▸ OPRK1 P41145 12/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ C5AR1 P21730 1/20 0.48
▸ NMBR P28336 1/20 0.47
▸ GRPR P30550 1/20 0.47
▸ CTSL P07711 2/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47

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
SCHEMBL30439872 0.89 C5AR1 (0.60) C5AR1NMBRGRPR
SCHEMBL30439719 0.88 C5AR1 (0.62) C5AR1NMBRGRPRCTSLCTSS
SCHEMBL30439794 0.88 C5AR1 (0.60) C5AR1NMBRGRPRCTSLCTSS
SCHEMBL30439962 0.88 C5AR1 (0.61) PIN1C5AR1NMBRGRPRCTSL
SCHEMBL30439961 0.88 C5AR1 (0.55) PIN1APLNRC5AR1NMBRGRPR
SCHEMBL30439960 0.87 C5AR1 (0.57) OPRM1OPRK1C5AR1
SCHEMBL30439604 0.86 C5AR1 (0.64) C5AR1NMBRGRPR
SCHEMBL30440054 0.86 C5AR1 (0.64) C5AR1NMBRGRPRCTSLCTSS
SCHEMBL30439693 0.85 C5AR1 (0.65) C5AR1NMBRGRPRCTSLCTSS
SCHEMBL30439951 0.85 CTSL (0.64) C5AR1NMBRGRPRCTSLCTSS

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 PIN1 1211/4885APLNR 189/4885OPRM1 3379/4885

“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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