SCHEMBL27084825

SCHEMBL27084825

C=CCN(CC)CCc1c[nH]c2c(OC3OC(CO)C(O)C(O)C3O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 17/20 0.47
▸ SLC5A1 P13866 9/20 0.47
▸ ATM Q13315 1/20 0.46
▸ SLC28A3 Q9HAS3 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR1E P28566 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTR2B P41595 1/20 0.40

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
SCHEMBL27084699 0.95 ATM (0.48) SLC5A2SLC5A1ATMSLC28A3HTR1A
SCHEMBL27084827 0.92 SLC5A2 (0.52) SLC5A2SLC5A1ATMSLC28A3HTR6
SCHEMBL27085218 0.90 HTR6 (0.41) SLC5A2SLC5A1HTR1AADRA2AADRA2B
SCHEMBL27084744 0.90 ATM (0.48) SLC5A2SLC5A1ATMSLC28A3HTR6
SCHEMBL27084830 0.89 SLC5A2 (0.51) SLC5A2SLC5A1ATMSLC28A3HTR2A
SCHEMBL27085003 0.87 SLC5A2 (0.53) SLC5A2SLC5A1ATMSLC28A3HTR6
SCHEMBL27085189 0.86 SLC5A2 (0.52) SLC5A2SLC5A1ATMSLC28A3HTR6
SCHEMBL27084884 0.86 SLC5A2 (0.62) SLC5A2SLC5A1
SCHEMBL27084930 0.86 HTR6 (0.45) SLC5A2SLC5A1ATMHTR1AADRA2A
SCHEMBL27084751 0.84 HTR6 (0.57) SLC5A2SLC5A1ATMSLC28A3HTR6

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 2 patents. 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
CN-117120415-A Modified indole alkaloids for therapeutic use 指南针探路者有限公司 2023-11-24 — — CN 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 3810/4885ATM 3022/4885

“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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