SCHEMBL9653545

SCHEMBL9653545

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 6/20 0.62
▸ GHSR Q92847 2/20 0.59
▸ ERAP2 Q6P179 1/20 0.59
▸ ITGB2 P05107 1/20 0.59
▸ ICAM1 P05362 1/20 0.59
▸ ITGAL P20701 1/20 0.59
▸ ACE P12821 2/20 0.58

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
SCHEMBL2181464 1.00 ECE1 (0.62) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL30052260 0.96 GHSR (0.62) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL31606505 0.94 GHSR (0.65) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL29533411 0.93 GHSR (0.65) ECE1GHSRITGB2ICAM1ITGAL
SCHEMBL29657708 0.92 ERAP2 (0.62) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL30223334 0.92 GHSR (0.57) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL30834217 0.92 ECE1 (0.56) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL30736101 0.91 MMP2 (0.60) ECE1GHSR
SCHEMBL21641802 0.91 ITGB2 (0.67) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL21641801 0.91 ITGB2 (0.67) ECE1GHSRERAP2ITGB2ICAM1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023247999-A1 PEPTIDIC PAIN MODULATORS AND METHODS FOR PRODUCING AND USING THE SAME MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2023-12-28 — — WO claimed
EP-0204374-B1 TRIPEPTIDIC COMPOUNDS HAVING HYPOTENSIVE ACTIVITY POLIFARMA S.p.A. (IT) 1992-12-30 — — EP claimed
US-5051404-A Tripeptides of pyroglutamic acid, proline, tryptophan, phenylalanine or tyrosine and a natural aminoacid ENIRICERCHE, S.P.A. (IT) 1991-09-24 — — US claimed
US-12622975-B2 Peptide-conjugated prodrugs BRANDEIS UNIVERSITY (US) 2026-05-12 — — US disclosed
CN-119930753-A Milk casein hydrolysate with anti-inflammatory effect, and preparation method and application thereof 澳优乳业(中国)有限公司 2025-05-06 — — CN disclosed
CN-118894917-B Feta protein zymolyte, preparation method and application 澳优乳业(中国)有限公司 2025-02-21 — — CN disclosed
WO-2023247999-A1 PEPTIDIC PAIN MODULATORS AND METHODS FOR PRODUCING AND USING THE SAME MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2023-12-28 — — WO disclosed
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 — — US disclosed
EP-0204374-B1 TRIPEPTIDIC COMPOUNDS HAVING HYPOTENSIVE ACTIVITY POLIFARMA S.p.A. (IT) 1992-12-30 — — EP disclosed
US-5051404-A Tripeptides of pyroglutamic acid, proline, tryptophan, phenylalanine or tyrosine and a natural aminoacid ENIRICERCHE, S.P.A. (IT) 1991-09-24 — — US disclosed
EP-0204374-A2 Tripeptidic compounds having hypotensive activity POLIFARMA S.p.A. (IT) 1986-12-10 — — EP 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 (2 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-12622975-B2 Peptide-conjugated prodrugs PEPD, PAM, VIP ECE1 1629/4885GHSR 429/4885ERAP2 831/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD ECE1 997/4885GHSR 679/4885ERAP2 87/4885

“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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