SCHEMBL27085022

SCHEMBL27085022

CCCN(CCC)CCc1c[nH]c2cccc(OC3OC(C)C(O)C(O)C3O)c12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 18/20 0.56
▸ SLC5A1 P13866 11/20 0.56
▸ HTR6 P50406 1/20 0.44
▸ HTR1A P08908 1/20 0.44

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
SCHEMBL27085123 0.96 SLC5A2 (0.54) SLC5A2SLC5A1HTR1A
SCHEMBL27085121 0.93 SLC5A2 (0.55) SLC5A2SLC5A1HTR6HTR1A
SCHEMBL27084940 0.89 SLC5A2 (0.70) SLC5A2SLC5A1
SCHEMBL27084669 0.89 HTR6 (0.58) SLC5A2SLC5A1HTR6HTR1A
SCHEMBL27085009 0.88 SLC5A2 (0.54) SLC5A2SLC5A1HTR6HTR1A
SCHEMBL27084731 0.88 SLC5A2 (0.51) SLC5A2SLC5A1HTR6HTR1A
SCHEMBL27084871 0.87 SLC5A2 (0.49) SLC5A2SLC5A1HTR6HTR1A
SCHEMBL27084837 0.87 SLC5A2 (0.52) SLC5A2SLC5A1HTR6
SCHEMBL27084686 0.86 SLC5A2 (0.53) SLC5A2SLC5A1HTR6HTR1A
SCHEMBL26795792 0.86 SLC5A2 (0.68) SLC5A2SLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES COMPASS PATHFINDER LIMITED (GB) 2024-02-08 — — US 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 SLC5A2 3921/4885SLC5A1 3810/4885HTR6 57/4885

“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