SCHEMBL27084910

SCHEMBL27084910

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.48
▸ SLC5A2 P31639 7/20 0.47
▸ SLC5A1 P13866 6/20 0.47
▸ TYR P14679 2/20 0.47
▸ HTR1D P28221 3/20 0.46
▸ HTR1B P28222 2/20 0.46
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR1E P28566 1/20 0.44
▸ HTR1F P30939 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR5A P47898 1/20 0.44

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
SCHEMBL27084707 0.93 TYR (0.49) ATMSLC5A2SLC5A1TYRHTR6
SCHEMBL27084989 0.92 ATM (0.49) ATMSLC5A2SLC5A1TYRHTR1D
SCHEMBL26790992 0.91 HTR1D (0.56) ATMSLC5A2SLC5A1TYRHTR1D
SCHEMBL26790014 0.91 HTR1D (0.56) ATMSLC5A2SLC5A1TYRHTR1D
SCHEMBL27084741 0.91 HTR1D (0.56) ATMSLC5A2SLC5A1TYRHTR1D
SCHEMBL27085008 0.90 ATM (0.48) ATMSLC5A2SLC5A1TYRHTR1D
SCHEMBL27085238 0.89 HTR1D (0.48) HTR1DHTR1BHTR3EHTR3BCYP1A2
SCHEMBL27085283 0.88 HTR2A (0.52) ATMSLC5A2SLC5A1TYRHTR1D
SCHEMBL27084663 0.87 HTR1A (0.57) ATMSLC5A2SLC5A1TYRHTR1D
SCHEMBL27084759 0.86 TYR (0.48) ATMSLC5A2SLC5A1TYRHTR1D

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 ATM 3022/4885SLC5A2 3921/4885SLC5A1 3810/4885

“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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