SCHEMBL27085146

SCHEMBL27085146

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.51
▸ TYR P14679 4/20 0.51
▸ SLC5A2 P31639 8/20 0.49
▸ SLC5A1 P13866 7/20 0.49
▸ ATM Q13315 1/20 0.47
▸ CA12 O43570 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 2/20 0.47

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
SCHEMBL27084715 0.95 TYR (0.48) HTR1ATYRSLC5A2SLC5A1ATM
SCHEMBL27084965 0.93 TYR (0.50) TYRSLC5A2SLC5A1ATMCA12
SCHEMBL27084663 0.92 HTR1A (0.57) HTR1ATYRSLC5A2SLC5A1ATM
SCHEMBL27084812 0.92 HTR1A (0.46) HTR1ATYRSLC5A2SLC5A1ATM
SCHEMBL27085126 0.91 TYR (0.50) TYRSLC5A2SLC5A1ATMCA12
SCHEMBL27085143 0.90 HTR6 (0.56) TYRSLC5A2SLC5A1ATMCA12
SCHEMBL27085227 0.90 TYR (0.48) TYRSLC5A2SLC5A1ATMCA12
SCHEMBL27084710 0.88 HTR1A (0.53) HTR1ACA12CA9
SCHEMBL27084948 0.88 HTR1A (0.48) HTR1ATYRSLC5A2SLC5A1ATM
SCHEMBL27084943 0.88 HTR2A (0.53) HTR1ATYRSLC5A2SLC5A1ATM

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 181/4885TYR 153/4885SLC5A2 3921/4885

“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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