SCHEMBL29776901

SCHEMBL29776901

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.53
▸ CAPN1 P07384 8/20 0.50
▸ CTSB P07858 3/20 0.46
▸ OPRM1 P35372 3/20 0.45
▸ OPRD1 P41143 3/20 0.45
▸ BDKRB2 P30411 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ XIAP P98170 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL30455247 0.89 CAPN1 (0.52) GRB2CAPN1CTSBOPRM1OPRD1
SCHEMBL29396765 0.89 CAPN1 (0.52) GRB2CAPN1CTSBOPRM1OPRD1
SCHEMBL29576210 0.86 CAPN1 (0.55) GRB2CAPN1CTSBOPRM1OPRD1
SCHEMBL29592022 0.85 ACE (0.47) GRB2CAPN1CTSBSTAT3
SCHEMBL30069148 0.85 XIAP (0.52) GRB2CAPN1CTSBOPRM1OPRD1
SCHEMBL29641846 0.84 GRB2 (0.51) GRB2CAPN1CTSBSLC6A2XIAP
SCHEMBL31218906 0.84 GRB2 (0.51) GRB2CAPN1CTSBOPRM1OPRD1
SCHEMBL30185032 0.84 F2 (0.46) GRB2CAPN1OPRM1OPRD1OPRK1
SCHEMBL19492652 0.83 CAPN1 (0.62) GRB2CAPN1CTSBOPRM1OPRD1
SCHEMBL29617972 0.82 ITGB1 (0.45) GRB2CAPN1OPRM1OPRD1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12419811-B2 Hydrogel drug delivery composition BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2025-09-23 — — US disclosed
US-20220218571-A1 HYDROGEL DRUG DELIVERY COMPOSITION BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2022-07-14 — — 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-20220218571-A1 HYDROGEL DRUG DELIVERY COMPOSITION PTH1R, PHPT1, PTMS GRB2 1124/4885CAPN1 959/4885CTSB 2048/4885
US-12419811-B2 Hydrogel drug delivery composition PTH1R, PHPT1, PTMS GRB2 1124/4885CAPN1 959/4885CTSB 2048/4885

“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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