SCHEMBL29527823

SCHEMBL29527823

CC(N)=NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.51
▸ F2 P00734 1/20 0.51
▸ OPRL1 P41146 4/20 0.50
▸ BDKRB2 P30411 1/20 0.48
▸ APLNR P35414 1/20 0.47
▸ NTSR1 P30989 1/20 0.46

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
SCHEMBL29881695 0.86 OPRD1 (0.53) OPRD1F2APLNRNTSR1
SCHEMBL31376412 0.85 RAMP3 (0.54) —
SCHEMBL30432612 0.83 RAMP3 (0.56) —
SCHEMBL30455559 0.83 RAMP3 (0.61) —
SCHEMBL30431713 0.82 NPY2R (0.52) —
SCHEMBL30390834 0.80 RAMP3 (0.63) —
SCHEMBL30847581 0.80 RAMP3 (0.60) —
SCHEMBL30930173 0.79 NPY2R (0.53) —
SCHEMBL30457049 0.79 OPRM1 (0.49) OPRD1
SCHEMBL30930139 0.79 CALCR (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313116-A1 COMPOSITIONS AND ARTICLES COMPRISING AN ADNF POLYPEPTIDE Ramot at Tel-Aviv University Ltd. (IL) 2024-02-07 — — EP disclosed
US-20230035133-A1 [1,2,4]Triazolo[4,3-B]Pyridazines For Use in the Treatment of Proliferative Diseases ASTRAZENECA AB (SE) 2023-02-02 — — US disclosed
WO-2022201166-A1 COMPOSITIONS AND ARTICLES COMPRISING AN ADNF POLYPEPTIDE RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-09-29 — — WO disclosed
US-11407755-B2 [1,2,4]triazolo[4,3-b]pyridazines for use in the treatment of proliferative diseases ASTRAZENECA AB (SE) 2022-08-09 — — US disclosed
US-11278525-B1 Further molecules, compositions and methods for modulation of SIRT6 SirTLab Corporation (IL) 2022-03-22 — — 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 (3 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-11278525-B1 Further molecules, compositions and methods for modulation of SIRT6 SIRT6, SIRT1, SIRT2 OPRD1 4518/4885F2 4614/4885OPRL1 4488/4885
US-11407755-B2 [1,2,4]triazolo[4,3-b]pyridazines for use in the treatment of proliferative diseases MKI67, CCNB1, CCNB2 OPRD1 4170/4885F2 2404/4885OPRL1 4342/4885
US-20230035133-A1 [1,2,4]Triazolo[4,3-B]Pyridazines For Use in the Treatment of Proliferative Diseases MKI67, CCNB1, CCNB2 OPRD1 4170/4885F2 2404/4885OPRL1 4342/4885

“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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