SCHEMBL30781746

SCHEMBL30781746

C[C@@H]1CN(C2CCN(C(=O)OCc3ccccc3)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.52
▸ PDK2 Q15119 1/20 0.52
▸ PDK3 Q15120 1/20 0.52
▸ PDK4 Q16654 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ HTT P42858 1/20 0.50
▸ CYP2C19 P33261 1/20 0.49
▸ PARP1 P09874 1/20 0.48
▸ STS P08842 1/20 0.47
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR119 Q8TDV5 2/20 0.43
▸ GRIN2B Q13224 2/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL15346269 0.89 SMN1; SMN2 (0.52) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL15346267 0.89 SMN1; SMN2 (0.52) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL27142488 0.89 SMN1; SMN2 (0.56) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL8088946 0.85 SMN1; SMN2 (0.57) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL1822340 0.85 SMN1; SMN2 (0.57) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL8089762 0.85 SMN1; SMN2 (0.57) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL18551742 0.85 SMN1; SMN2 (0.52) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL30731915 0.84 PDK1 (0.50) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL30781698 0.84 PDK1 (0.50) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL2380922 0.84 PDK1 (0.67) PDK1PDK2PDK3PDK4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4548937-A1 ANTIBODY-DRUG COMPLEX Eisai R&D Management Co., Ltd. (JP) 2025-05-07 — — EP disclosed
US-20240148895-A1 ANTIBODY-DRUG CONJUGATE EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-05-09 — — US disclosed
WO-2024043319-A1 ANTIBODY-DRUG COMPLEX エーザイ・アール・アンド・ディー・マネジメント株式会社 2024-02-29 — — WO 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-20240148895-A1 ANTIBODY-DRUG CONJUGATE ANTXR2, FCGR1A, HAX1 PDK1 3231/4885PDK2 3506/4885PDK3 2953/4885

“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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