SCHEMBL30051517

SCHEMBL30051517

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)O)[C@@H]1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 7/20 0.53
▸ BCHE P06276 1/20 0.52
▸ DPP3 Q9NY33 4/20 0.52
▸ CYP2C19 P33261 1/20 0.51
▸ ITGB2 P05107 1/20 0.49
▸ ICAM1 P05362 1/20 0.49
▸ ITGAL P20701 1/20 0.49
▸ F13A1 P00488 1/20 0.48
▸ TGM2 P21980 1/20 0.48
▸ TACR1 P25103 2/20 0.47
▸ DPP4 P27487 1/20 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
SCHEMBL30511908 0.97 GHSR (0.56) GHSRBCHEDPP3CYP2C19F13A1
SCHEMBL18933365 0.91 DPP3 (0.53) GHSRBCHEDPP3F13A1TGM2
SCHEMBL14906600 0.91 DPP3 (0.49) GHSRBCHEDPP3
SCHEMBL14906478 0.91 DPP3 (0.49) GHSRBCHEDPP3
SCHEMBL29812309 0.90 DPP3 (0.64) GHSRDPP3ITGB2ICAM1ITGAL
SCHEMBL14903326 0.89 DPP3 (0.49) GHSRDPP3TACR1
SCHEMBL2193319 0.87 GHSR (0.52) GHSRBCHEDPP3F13A1TGM2
SCHEMBL11857684 0.86 TRHR (0.54) BCHEDPP3CYP2C19ITGB2ICAM1
SCHEMBL30051356 0.84 ITGB2 (0.56) GHSRBCHEDPP3ITGB2ICAM1
SCHEMBL29878760 0.84 ACE (0.56) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12622975-B2 Peptide-conjugated prodrugs BRANDEIS UNIVERSITY (US) 2026-05-12 — — US disclosed
CN-119841827-A Purine compounds and application thereof 中国科学院上海药物研究所 2025-04-18 — — 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
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

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 GHSR 429/4885BCHE 353/4885DPP3 25/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD GHSR 679/4885BCHE 231/4885DPP3 64/4885

“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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