SCHEMBL27084710

SCHEMBL27084710

CCN(CC)CCc1c[nH]c2cc(OC3OC(C)C(O)C(O)C3O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.53
▸ HTR6 P50406 2/20 0.46
▸ HTR1D P28221 3/20 0.45
▸ MPO P05164 2/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ HTR1B P28222 1/20 0.42
▸ HTR2A P28223 5/20 0.41
▸ BCHE P06276 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38

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
SCHEMBL27084890 0.95 HTR2A (0.48) HTR1AHTR6HTR1DMPOCA12
SCHEMBL27084722 0.93 HTR1D (0.46) HTR1AHTR6HTR1DCA12CA9
SCHEMBL27084908 0.92 HTR1A (0.59) HTR1AHTR6HTR1DMPOHTR1B
SCHEMBL27084915 0.92 HTR1A (0.47) HTR1AHTR6HTR1DMPOCA12
SCHEMBL27085096 0.91 HTR6 (0.47) HTR1AHTR6HTR1DCA12CA9
SCHEMBL27085239 0.90 HTR6 (0.58) HTR1AHTR6HTR1DMPOCA12
SCHEMBL27084696 0.89 HTR6 (0.43) HTR1AHTR6HTR1DCA12CA9
SCHEMBL27085260 0.89 HTR1A (0.52) HTR1AHTR6HTR1DCA12CA9
SCHEMBL27085146 0.88 HTR1A (0.51) HTR1ACA12CA9
SCHEMBL27085221 0.87 HTR2A (0.55) HTR1AHTR6HTR1DMPOHTR1B

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 181/4885HTR6 57/4885HTR1D 664/4885

“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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