SCHEMBL7530628

SCHEMBL7530628

O=C(O)CCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 2/20 0.62
SLC13A5 Q86YT5 1/20 0.62
FKBP1A P62942 3/20 0.54
GSK3B P49841 1/20 0.51
FFAR1 O14842 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KEAP1 Q14145 1/20 0.48
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48

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
SCHEMBL27989630 0.88 MAPT (0.59) LMNAITGB3ITGA2BGAAMAPT
SCHEMBL10695749 0.86 ITGB3 (0.66) LMNAITGB3ITGA2BGAAMAPT
SCHEMBL2330058 0.85 MAPT (0.57) LMNAITGB3ITGA2BGAAMAPT
SCHEMBL847349 0.85 ITGB3 (0.64) LMNAITGB3ITGA2BGAAMAPT
SCHEMBL30151165 0.83 KMO (0.58) LMNAITGB3ITGA2BGAAMAPT
SCHEMBL2649726 0.83 ITGB3 (0.60) LMNAITGB3ITGA2BMAPTSLC13A5
Hydrochloric Acid SCHEMBL31627554 0.83 KMT2A (0.60) LMNAITGB3ITGA2BGAAMAPT
SCHEMBL28299497 0.83 MAPT (0.55) LMNAITGB3ITGA2BGAAMAPT
SCHEMBL27777322 0.83 MAPT (0.58) LMNAITGB3ITGA2BGAAMAPT
SCHEMBL2302994 0.82 ITGB3 (0.61) LMNAITGB3ITGA2BGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 US disclosed
CN-114057668-B Synthesis method of amino protecting group chiral 2-amino-3- (4-morpholinylphenyl) propionic acid 马鞍山诺恩特医药科技有限公司 2023-08-25 CN disclosed
CN-114891070-A Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-08-12 CN disclosed
CN-107835818-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 CN disclosed
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2022-03-31 US disclosed
CN-114057668-A Synthesis method of amino protecting group chiral 2-amino-3- (4-morpholinylphenyl) propionic acid 马鞍山诺恩特医药科技有限公司 2022-02-18 CN disclosed
EP-0718293-B1 CYCLODEPSIPEPTIDE COMPOUND FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-13 EP disclosed
EP-0718293-A1 CYCLODEPSIPEPTIDE COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-26 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-12018048-B2 Anthelmintic depsipeptide compounds VIP, DNPEP, DPEP1 LMNA 2297/4885ITGB3 4634/4885ITGA2B 4708/4885
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP LMNA 2969/4885ITGB3 4674/4885ITGA2B 4763/4885

“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.