SCHEMBL29510980

SCHEMBL29510980

CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.55
▸ NPY1R P25929 7/20 0.55
▸ NPY2R P49146 5/20 0.55
▸ NPY5R Q15761 5/20 0.55
▸ NMUR2 Q9GZQ4 4/20 0.50
▸ NMUR1 Q9HB89 4/20 0.50
▸ EPHA2 P29317 1/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 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
SCHEMBL29813882 0.86 OPRK1 (0.44) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL30293724 0.85 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL30689267 0.84 OPRK1 (0.59) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL18176610 0.84 OPRK1 (0.63) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL30634738 0.84 NMUR2 (0.56) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL29972993 0.84 NMUR2 (0.60) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL9852750 0.83 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL22288702 0.83 KISS1R (0.57) —
SCHEMBL22288705 0.83 KISS1R (0.57) —
SCHEMBL8876493 0.83 NPY4R (0.60) NPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11672779-B2 Modulators of GTPases and their use UNM RAINFOREST INNOVATIONS (US) 2023-06-13 — — US claimed
EP-4440703-A1 HETEROCYCLIC COMPOUNDS AS GCN2 AND PERK KINASE INHIBITORS Deciphera Pharmaceuticals, LLC (US) 2024-10-09 — — EP disclosed
EP-4247795-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2023-09-27 — — EP disclosed
WO-2023102228-A1 HETEROCYCLIC COMPOPUNDS AS GCN2 AND PERK KINASE INHIBITORS DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-08 — — WO disclosed
US-11591298-B2 Bisaminoquinoline compounds, pharmaceutical compositions prepared therefrom and their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-02-28 — — US disclosed
WO-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 — — WO disclosed
US-20220143183-A1 PHOTOSWITCHABLE PROTACS AND SYNTHESIS AND USES THEREOF NEW YORK UNIVERSITY 2022-05-12 — — 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-11591298-B2 Bisaminoquinoline compounds, pharmaceutical compositions prepared therefrom and their use SQSTM1, UACA, ATG7 NPY4R 3780/4885NPY1R 2720/4885NPY2R 2634/4885
US-20220143183-A1 PHOTOSWITCHABLE PROTACS AND SYNTHESIS AND USES THEREOF MDM2, UBE3C, CUL1 NPY4R 4581/4885NPY1R 4524/4885NPY2R 4670/4885
US-11672779-B2 Modulators of GTPases and their use CDC42, RAC1, ROCK1 NPY4R 3622/4885NPY1R 2517/4885NPY2R 3657/4885

“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.

Send feedback