Secologanin

Secologanin

SCHEMBL21358657

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O.NCCc1c[nH]c2ccccc12

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ HTR1A P08908 2/20 0.42
▸ STAT3 P40763 9/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ ACHE P22303 1/20 0.38

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
Secologanin SCHEMBL431171 0.84 STAT3 (0.55) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL28663748 0.77 STAT3 (0.55) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL31006406 0.75 STAT3 (0.55) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL2135813 0.75 STAT3 (0.52) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL2135809 0.75 STAT3 (0.52) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL29425864 0.74 STAT3 (0.64) STAT3MAPT
SCHEMBL30004407 0.74 HTR1A (0.46) POLBCTDSP1HTR1ASTAT3MEN1
SCHEMBL29391273 0.73 POLB (0.49) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL29629350 0.73 POLB (0.49) POLBCTDSP1STAT3MEN1MAPT
Strictosidine SCHEMBL8322946 0.73 HTR1A (0.56) POLBCTDSP1HTR1ASTAT3MEN1

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
WO-2019178267-A2 INDUCTIVE REGENERATION OF THE AIRWAY BY TRANSCRIPTIONAL FACTOR MODULATION OF GLANDULAR MYOEPITHELIAL STEM CELLS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2019-09-19 — — WO claimed
US-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES COMPASS PATHFINDER LIMITED (GB) 2024-02-08 — — US disclosed
EP-4263504-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES COMPASS Pathfinder Limited (GB) 2023-10-25 — — EP disclosed
WO-2022133314-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES NEW ATLAS BIOTECHNOLOGIES, INC. (US) 2022-06-23 — — 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-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES INMT, AANAT, HNMT POLB 3500/4885CTDSP1 3483/4885HTR1A 181/4885

“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