SCHEMBL27084948

SCHEMBL27084948

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 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
▸ HTR2A P28223 6/20 0.48
▸ HTR2C P28335 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
▸ HTR2B P41595 6/20 0.48
▸ HTR6 P50406 6/20 0.48
▸ SLC6A3 Q01959 6/20 0.48
▸ SIGMAR1 Q99720 6/20 0.48
▸ SLC6A2 P23975 5/20 0.48
▸ HTR1B P28222 5/20 0.48
▸ HTR7 P34969 5/20 0.48
▸ HTR5A P47898 5/20 0.48

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
SCHEMBL27084812 0.95 HTR1A (0.46) HTR1AADRA2AADRA2BADRA2CHTR1D
SCHEMBL27084692 0.93 HTR1A (0.58) HTR1AADRA2AADRA2BADRA2CHTR1D
SCHEMBL27085082 0.91 TYR (0.47) HTR6TYRATMSLC5A1SLC5A2
SCHEMBL27085260 0.88 HTR1A (0.52) HTR1AADRA2AADRA2BADRA2CHTR1D
SCHEMBL27085146 0.88 HTR1A (0.51) HTR1ATYRATMSLC5A1SLC5A2
SCHEMBL27084802 0.88 HTR1D (0.55) HTR1AADRA2AADRA2BADRA2CHTR1D
SCHEMBL27084965 0.87 TYR (0.50) HTR1DTYRATMSLC5A1SLC5A2
SCHEMBL27085143 0.86 HTR6 (0.56) HTR2AHTR2CHTR2BHTR6TYR
SCHEMBL27084715 0.85 TYR (0.48) HTR1AHTR2ATYRATMSLC5A1
SCHEMBL27084753 0.83 TYR (0.50) TYRATMSLC5A1SLC5A2CA12

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 181/4885ADRA2A 183/4885ADRA2B 479/4885

“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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