SCHEMBL27084908

SCHEMBL27084908

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.59
▸ HTR1D P28221 10/20 0.53
▸ MPO P05164 2/20 0.53
▸ HTR1B P28222 5/20 0.52
▸ HTR2A P28223 4/20 0.47
▸ HTR6 P50406 3/20 0.46
▸ HTR2C P28335 2/20 0.45
▸ HTR1E P28566 2/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ HTR5A P47898 2/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ OPRK1 P41145 1/20 0.45

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
SCHEMBL27085221 0.95 HTR2A (0.55) HTR1AHTR1DMPOHTR1BHTR2A
SCHEMBL27084794 0.93 HTR1D (0.54) HTR1AHTR1DMPOHTR1BHTR2A
SCHEMBL27084710 0.92 HTR1A (0.53) HTR1AHTR1DMPOHTR1BHTR2A
SCHEMBL27084795 0.92 HTR1D (0.56) HTR1AHTR1DMPOHTR1BHTR2A
SCHEMBL27084738 0.91 HTR2A (0.54) HTR1AHTR1DHTR1BHTR2AHTR6
SCHEMBL27085194 0.90 HTR1D (0.58) HTR1AHTR1DMPOHTR1BHTR2A
SCHEMBL27085211 0.89 HTR1A (0.46) HTR1AHTR1DMPOHTR1BHTR2A
SCHEMBL27085089 0.89 HTR1D (0.62) HTR1AHTR1DMPOHTR1BHTR2A
SCHEMBL27084663 0.88 HTR1A (0.57) HTR1AHTR1DMPOHTR1BHTR2A
SCHEMBL27085137 0.87 HTR1D (0.46) HTR1AHTR1DHTR1BHTR2AHTR6

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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