SCHEMBL27084755

SCHEMBL27084755

C=CCN(CC=C)CCc1c[nH]c2cccc(OC(=O)CCCC(=O)O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 13/20 0.53
▸ HTR1A P08908 8/20 0.48
▸ HTR2C P28335 7/20 0.48
▸ HTR2B P41595 7/20 0.48
▸ HTR6 P50406 7/20 0.48
▸ ADRA2A P08913 6/20 0.48
▸ ADRA2B P18089 6/20 0.48
▸ ADRA2C P18825 6/20 0.48
▸ HTR1D P28221 6/20 0.48
▸ HTR1E P28566 6/20 0.48
▸ SLC6A4 P31645 6/20 0.48
▸ HRH1 P35367 6/20 0.48
▸ DRD3 P35462 6/20 0.48
▸ OPRK1 P41145 6/20 0.48
▸ SLC6A3 Q01959 6/20 0.48
▸ SIGMAR1 Q99720 6/20 0.48
▸ SLC6A2 P23975 5/20 0.48
▸ ADRA1A P35348 5/20 0.48
▸ ADRA1B P35368 4/20 0.48
▸ HTR1B P28222 5/20 0.43

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
SCHEMBL27084793 0.98 HTR2A (0.55) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL29112596 0.94 HTR2A (0.54) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL27085258 0.94 HTR2A (0.50) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL27084849 0.92 HTR2A (0.56) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL27084672 0.90 HTR2A (0.56) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL27084893 0.90 HTR2A (0.50) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL27084855 0.88 HTR2A (0.51) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL27085229 0.88 HTR2A (0.58) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL27084750 0.88 HTR2A (0.57) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL27085204 0.87 HTR2A (0.55) HTR2AHTR1AHTR2CHTR2BHTR6

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 181/4885HTR2C 482/4885

“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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