SCHEMBL24168730

SCHEMBL24168730

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 10/20 0.68
▸ HTR6 P50406 3/20 0.61
▸ HTR1A P08908 6/20 0.60
▸ HTR2C P28335 5/20 0.60
▸ HTR2B P41595 5/20 0.60
▸ HTR1B P28222 4/20 0.54
▸ HTR7 P34969 2/20 0.54
▸ HTR5A P47898 2/20 0.54
▸ HTR1D P28221 2/20 0.54
▸ DRD1 P21728 1/20 0.54
▸ HTR1E P28566 1/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ HTR1F P30939 1/20 0.49
▸ ADRA2A P08913 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ ADRA1D P25100 1/20 0.46

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
SCHEMBL30630389 1.00 HTR2A (0.68) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL30630313 0.98 HTR2A (0.71) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL25074497 0.98 HTR2A (0.71) HTR2AHTR6HTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL30928236 0.97 HTR2A (0.69) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL25790684 0.95 HTR2A (0.73) HTR2AHTR6HTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL31634311 0.94 HTR2A (0.71) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL30630344 0.93 HTR2A (0.64) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL24168523 0.93 HTR2A (0.64) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL25790565 0.93 HTR2A (0.76) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL25792493 0.92 HTR2A (0.78) HTR2AHTR6HTR1AHTR2CHTR2B

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 8 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
US-20230167141-A1 PSILOCIN DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS MINDSET PHARMA INC. (CA) 2023-06-01 — — US disclosed
US-20230167141-A1 PSILOCIN DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS MINDSET PHARMA INC. (CA) 2023-06-01 — — US disclosed
US-11591353-B2 Psilocin derivatives as serotonergic psychedelic agents for the treatment of CNS disorders MINDSET PHARMA INC. (CA) 2023-02-28 — — US disclosed
US-20220177427-A1 Tryptamine Prodrugs REUNION NEUROSCIENCE CANADA INC. (CA) 2022-06-09 — — US disclosed
US-11292765-B2 Tryptamine prodrugs FIELD TRIP PSYCHEDELICS INC. (CA) 2022-04-05 — — US disclosed
US-20210403425-A1 TRYPTAMINE PRODRUGS REUNION NEUROSCIENCE, INC. 2021-12-30 — — US 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 (6 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-11292765-B2 Tryptamine prodrugs HTR2A, HTR5A, HTR2C HTR2A 1/4885HTR6 13/4885HTR1A 4/4885
US-11591353-B2 Psilocin derivatives as serotonergic psychedelic agents for the treatment of CNS disorders HTR1A, HTR6, HTR1B HTR2A 4/4885HTR6 2/4885HTR1A 1/4885
US-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES INMT, AANAT, HNMT HTR2A 53/4885HTR6 57/4885HTR1A 181/4885
US-20210403425-A1 TRYPTAMINE PRODRUGS HTR2A, HTR5A, HTR2C HTR2A 1/4885HTR6 13/4885HTR1A 4/4885
US-20220177427-A1 Tryptamine Prodrugs HTR2A, HTR5A, HTR2C HTR2A 1/4885HTR6 13/4885HTR1A 4/4885
US-20230167141-A1 PSILOCIN DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS HTR1A, HTR6, HTR1B HTR2A 4/4885HTR6 2/4885HTR1A 1/4885

“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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