SCHEMBL27084964

SCHEMBL27084964

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 4/20 0.52
▸ HTR1A P08908 2/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ ATM Q13315 1/20 0.49
▸ SLC5A2 P31639 7/20 0.48
▸ SLC5A1 P13866 6/20 0.48
▸ TYR P14679 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HTR2A P28223 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
SCHEMBL27084943 0.96 HTR2A (0.53) HTR1DHTR1AHTR1BATMSLC5A2
SCHEMBL27084663 0.93 HTR1A (0.57) HTR1DHTR1AHTR1BATMSLC5A2
SCHEMBL27084965 0.93 TYR (0.50) HTR1DATMSLC5A2SLC5A1TYR
SCHEMBL27084741 0.89 HTR1D (0.56) HTR1DHTR1AHTR1BATMSLC5A2
SCHEMBL26790992 0.89 HTR1D (0.56) HTR1DHTR1AHTR1BATMSLC5A2
SCHEMBL26790014 0.89 HTR1D (0.56) HTR1DHTR1AHTR1BATMSLC5A2
SCHEMBL27084715 0.89 TYR (0.48) HTR1AATMSLC5A2SLC5A1TYR
SCHEMBL27085283 0.89 HTR2A (0.52) HTR1DHTR1AHTR1BATMSLC5A2
SCHEMBL27084794 0.89 HTR1D (0.54) HTR1DHTR1AHTR1BCYP1A2CYP2D6
SCHEMBL27084692 0.87 HTR1A (0.58) HTR1DHTR1AHTR1BATMSLC5A2

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 HTR1D 664/4885HTR1A 181/4885HTR1B 324/4885

“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.

Send feedback