SCHEMBL29565297

SCHEMBL29565297

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 6/20 0.68
▸ NMBR P28336 2/20 0.68
▸ ITGB3 P05106 2/20 0.61
▸ ITGAV P06756 2/20 0.61
▸ IL23R Q5VWK5 2/20 0.60
▸ CTSL P07711 3/20 0.59
▸ CTSS P25774 3/20 0.59
▸ CTSK P43235 3/20 0.59
▸ CTSH P09668 1/20 0.59
▸ KEAP1 Q14145 1/20 0.59
▸ GLP1R P43220 3/20 0.58
▸ GCGR P47871 3/20 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
Bombesin SCHEMBL29364598 0.97 GRPR (0.66) GRPRNMBRITGB3ITGAVCTSL
SCHEMBL31738529 0.94 GRPR (0.62) GRPRNMBRITGB3ITGAVCTSL
SCHEMBL30783571 0.91 GRPR (0.65) GRPRNMBR
Bombesin SCHEMBL29353003 0.90 GRPR (0.70) GRPRNMBR
Bombesin SCHEMBL29711302 0.90 GRPR (0.76) GRPR
Bombesin SCHEMBL3049338 0.90 GRPR (0.76) GRPR
SCHEMBL30312760 0.89 GRPR (0.69) GRPRNMBRITGB3ITGAVCTSL
SCHEMBL30192248 0.88 GRPR (0.71) GRPRNMBRCTSLCTSSCTSK
SCHEMBL31694516 0.87 GLP1R (0.63) IL23RGLP1RGCGR
SCHEMBL19365036 0.86 GRPR (0.57) GRPRNMBRITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548096-B1 INHIBITOR-FUNCTIONALIZED ULTRASMALL NANOPARTICLES AND METHODS THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-11-20 — — EP disclosed
US-11660354-B2 Inhibitor-functionalized ultrasmall nanoparticles and methods thereof MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-05-30 — — US disclosed
EP-4046995-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS Sunovion Pharmaceuticals Inc. (US) 2022-08-24 — — EP disclosed
EP-3256466-B9 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2022-07-27 — — EP disclosed
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2022-06-16 — — US disclosed
EP-3256466-B1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2022-04-06 — — 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-11660354-B2 Inhibitor-functionalized ultrasmall nanoparticles and methods thereof GRPR, GIPR, PSMA1 GRPR 1/4885NMBR 176/4885ITGB3 1661/4885
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 GRPR 645/4885NMBR 617/4885ITGB3 4780/4885

“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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