SCHEMBL27085191

SCHEMBL27085191

CC1OC(Oc2ccc3c(CCN(C(C)C)C(C)C)c[nH]c3c2)C(O)C(O)C1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR1D P28221 2/20 0.37
▸ HTR1B P28222 2/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR1E P28566 1/20 0.36
▸ HTR1F P30939 1/20 0.36

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
SCHEMBL27085137 0.92 HTR1D (0.46) HTR6CA12CA9HTR2AHTR2C
SCHEMBL27084888 0.91 HTR6 (0.46) HTR6CA12CA9HTR2AHTR2C
SCHEMBL27084696 0.90 HTR6 (0.43) HTR6CA12CA9HTR2AHTR2C
SCHEMBL27085239 0.89 HTR6 (0.58) HTR6CA12CA9HTR2AHTR2C
SCHEMBL27084753 0.89 TYR (0.50) CA12CA9SLC5A1SLC5A2TYR
SCHEMBL27084710 0.87 HTR1A (0.53) HTR6CA12CA9HTR2AHTR2C
SCHEMBL27084722 0.86 HTR1D (0.46) HTR6CA12CA9HTR2AHTR2C
SCHEMBL27085096 0.86 HTR6 (0.47) HTR6CA12CA9HTR2AHTR2C
SCHEMBL27084913 0.85 HTR6 (0.45) HTR6CA12CA9HTR2AHTR2C
SCHEMBL27084890 0.85 HTR2A (0.48) HTR6CA12CA9HTR2AHTR1D

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 HTR6 57/4885CA12 2225/4885CA9 1277/4885

“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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