SCHEMBL27084943

SCHEMBL27084943

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.53
▸ HTR1A P08908 3/20 0.52
▸ HTR1D P28221 6/20 0.48
▸ ATM Q13315 1/20 0.48
▸ HTR1B P28222 2/20 0.47
▸ SLC5A2 P31639 5/20 0.47
▸ SLC5A1 P13866 4/20 0.47
▸ TYR P14679 1/20 0.46
▸ MPO P05164 1/20 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
SCHEMBL27084964 0.96 HTR1D (0.52) HTR2AHTR1AHTR1DATMHTR1B
SCHEMBL27084663 0.95 HTR1A (0.57) HTR2AHTR1AHTR1DATMHTR1B
SCHEMBL27084715 0.93 TYR (0.48) HTR2AHTR1AATMSLC5A2SLC5A1
SCHEMBL27084802 0.90 HTR1D (0.55) HTR2AHTR1AHTR1DATMHTR1B
SCHEMBL27085283 0.89 HTR2A (0.52) HTR2AHTR1AHTR1DATMHTR1B
SCHEMBL27084965 0.89 TYR (0.50) HTR1DATMSLC5A2SLC5A1TYR
SCHEMBL27085221 0.89 HTR2A (0.55) HTR2AHTR1AHTR1DHTR1BMPO
SCHEMBL27085146 0.88 HTR1A (0.51) HTR1AATMSLC5A2SLC5A1TYR
SCHEMBL26790014 0.88 HTR1D (0.56) HTR2AHTR1AHTR1DATMHTR1B
SCHEMBL27084741 0.88 HTR1D (0.56) HTR2AHTR1AHTR1DATMHTR1B

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 HTR2A 53/4885HTR1A 181/4885HTR1D 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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