SCHEMBL27084663

SCHEMBL27084663

CCN(CC)CCc1c[nH]c2ccc(OC3OC(CO)C(O)C(O)C3O)cc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.57
▸ HTR1D P28221 3/20 0.51
▸ MPO P05164 1/20 0.51
▸ HTR1B P28222 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ SLC5A2 P31639 8/20 0.49
▸ SLC5A1 P13866 7/20 0.49
▸ TYR P14679 2/20 0.48
▸ HTR2A P28223 2/20 0.46

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
SCHEMBL27084943 0.95 HTR2A (0.53) HTR1AHTR1DMPOHTR1BATM
SCHEMBL27084964 0.93 HTR1D (0.52) HTR1AHTR1DHTR1BATMSLC5A2
SCHEMBL27085146 0.92 HTR1A (0.51) HTR1AATMSLC5A2SLC5A1TYR
SCHEMBL27084802 0.92 HTR1D (0.55) HTR1AHTR1DMPOHTR1BATM
SCHEMBL27085283 0.91 HTR2A (0.52) HTR1AHTR1DHTR1BATMSLC5A2
SCHEMBL26790992 0.90 HTR1D (0.56) HTR1AHTR1DMPOHTR1BATM
SCHEMBL27084741 0.90 HTR1D (0.56) HTR1AHTR1DMPOHTR1BATM
SCHEMBL26790014 0.90 HTR1D (0.56) HTR1AHTR1DMPOHTR1BATM
SCHEMBL27085008 0.90 ATM (0.48) HTR1AHTR1DHTR1BATMSLC5A2
SCHEMBL27084908 0.88 HTR1A (0.59) HTR1AHTR1DMPOHTR1BHTR2A

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 HTR1A 181/4885HTR1D 664/4885MPO 117/4885

“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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