SCHEMBL21985071

SCHEMBL21985071

C[C@@H](N)CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GAA P10253 1/20 0.61
TDP1 Q9NUW8 4/20 0.60
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
CA1 P00915 10/20 0.50
CA2 P00918 10/20 0.50
CA12 O43570 6/20 0.50
CA9 Q16790 6/20 0.50
ATM Q13315 2/20 0.44
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 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
SCHEMBL29154833 1.00 MEN1 (0.61) MEN1KMT2AGAATDP1MAOA
SCHEMBL30163663 1.00 MEN1 (0.61) MEN1KMT2AGAATDP1MAOA
SCHEMBL4383623 0.98 TDP1 (0.63) MEN1KMT2AGAATDP1MAOA
SCHEMBL29832942 0.98 TDP1 (0.63) MEN1KMT2AGAATDP1MAOA
SCHEMBL2917277 0.95 MEN1 (0.68) MEN1KMT2AGAATDP1MAOA
SCHEMBL28219956 0.88 MEN1 (0.57) MEN1KMT2AGAATDP1MAOA
SCHEMBL1654204 0.88 MEN1 (0.57) MEN1KMT2AGAATDP1MAOA
SCHEMBL12341542 0.86 MEN1 (0.65) MEN1KMT2AGAATDP1MAOA
SCHEMBL19560605 0.86 MEN1 (0.56) MEN1KMT2AGAATDP1MAOA
SCHEMBL15679442 0.85 MEN1 (0.59) MEN1KMT2AGAATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279233-A1 MACROCYCLIC TAK1 INHIBITORS AQILION AB (SE) 2024-08-22 US disclosed
EP-4363422-A1 MACROCYCLIC TAK1 INHIBITORS Aqilion AB (SE) 2024-05-08 EP disclosed
WO-2023275199-A1 MACROCYCLIC TAK1 INHIBITORS AQILION AB (SE) 2023-01-05 WO disclosed
EP-3366680-B1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES INC (US) 2020-05-13 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 (1 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-20240279233-A1 MACROCYCLIC TAK1 INHIBITORS TAB1, TBK1, IRAK3 MEN1 317/4885KMT2A 1921/4885GAA 3191/4885

“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.