SCHEMBL29904381

SCHEMBL29904381

COc1cc(N)c([123I])cc1C(=O)NC1(C)CCN(CCCOc2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.52
KCNH2 Q12809 4/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2C9 P11712 2/20 0.52
HTR1A P08908 2/20 0.52
DRD2 P14416 2/20 0.52
DRD1 P21728 2/20 0.52
HTR2A P28223 2/20 0.52
SLC6A4 P31645 2/20 0.52
HTR7 P34969 2/20 0.52
HRH1 P35367 2/20 0.52
DRD3 P35462 2/20 0.52
HTR2B P41595 2/20 0.52
USP2 O75604 1/20 0.52
HTR3E A5X5Y0 1/20 0.52
MLNR O43193 1/20 0.52
CACNA1F O60840 1/20 0.52
HTR3B O95264 1/20 0.52
HMGCR P04035 1/20 0.52

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
SCHEMBL8865738 0.90 KCNH2 (0.52) HTR4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8865630 0.90 HTR4 (0.52) HTR4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8866229 0.90 HTR4 (0.64) HTR4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8866468 0.87 KCNH2 (0.48) HTR4KCNH2CYP3A4CYP2D6CYP2C9
Water SCHEMBL7130515 0.86 KCNH2 (0.49) HTR4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8417804 0.84 DRD3 (0.50) KCNH2CYP2D6HTR1ADRD2DRD1
SCHEMBL8416209 0.83 KCNH2 (0.45) HTR4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8417837 0.83 KCNH2 (0.45) HTR4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL22462315 0.80 HTR4 (0.44) HTR4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8866360 0.79 HTR4 (0.51) HTR4KCNH2CYP3A4CYP2D6CYP2C9

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313030-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS Terran Biosciences, Inc. (US) 2024-02-07 EP claimed
WO-2022212854-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS TERRAN BIOSCIENCES INC. (US) 2022-10-06 WO claimed
US-12612364-B2 Salts and solid forms of 4-hydroxy-N,N-diisopropyltryptamine hemi-glutarate and hemi-succinate TERRAN BIOSCIENCES INC. (US) 2026-04-28 US disclosed
US-20260085041-A1 SALTS AND SOLID FORMS OF 4-HYDROXY-N,N-DIISOPROPYLTRYPTAMINE HEMI-GLUTARATE AND HEMI-SUCCINATE TERRAN BIOSCIENCES INC (US) 2026-03-26 US disclosed
EP-4429672-A1 PSILOCYBIN AND O-ACETYLPSILOCIN, SALTS AND SOLID STATE FORMS THEREOF Terran Biosciences Inc. (US) 2024-09-18 EP disclosed
EP-4387608-A1 PRODRUGS AND DERIVATIVES OF PSILOCIN AND USES THEREOF Terran Biosciences, Inc. (US) 2024-06-26 EP disclosed
US-20240165079-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS CONSEJO SUPERIOR INVESTIGACION (ES) 2024-05-23 US disclosed
EP-4313030-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS Terran Biosciences, Inc. (US) 2024-02-07 EP disclosed
WO-2023235766-A2 METHODS FOR ACQUIRING AND ANALYZING NEUROMELANIN-SENSITIVE MRI UNIVERSITY OF OTTAWA INSTITUTE OF MENTAL HEALTH RESEARCH (CA) 2023-12-07 WO disclosed
WO-2023141595-A2 FUNCTIONALIZED ALKYLAMINES TERRAN BIOSCIENCES, INC. (US) 2023-07-27 WO disclosed
WO-2023115002-A1 ANALOGS OF 4-BROMO-2,5-DIMETHOXYPHENETHYLAMINE TERRAN BIOSCIENCES INC. (US) 2023-06-22 WO disclosed
WO-2023107931-A1 SALT AND SOLID FORMS OF INDOLE ANALOGS AND METHODS OF USE THEREOF TERRAN BIOSCIENCES, INC. (US) 2023-06-15 WO disclosed
WO-2023108172-A2 ANALOGS OF 4-SUBSTITUTED-2,5-DIMETHOXYAMPHETAMINE TERRAN BIOSCIENCES, INC. (US) 2023-06-15 WO disclosed
WO-2023086962-A1 PSILOCYBIN AND O-ACETYLPSILOCIN, SALTS AND SOLID STATE FORMS THEREOF TERRAN BIOSCIENCES INC. (US) 2023-05-19 WO disclosed
WO-2023081897-A1 ISOTOPICALLY ENRICHED 3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINE (MDE) AND STEREOISOMERS THEREOF TERRAN BIOSCIENCES, INC. (US) 2023-05-11 WO disclosed
WO-2023081899-A1 ISOTOPICALLY ENRICHED N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE (MBDB) AND STEREOISOMERS THEREOF TERRAN BIOSCIENCES, INC. (US) 2023-05-11 WO disclosed
WO-2023081895-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) TERRAN BIOSCIENCES, INC. (US) 2023-05-11 WO disclosed
WO-2023081892-A1 ANALOGS OF N,N,N-TRIMETHYL-4-PHOSPHORYLOXYTRYPTAMINE TERRAN BIOSCIENCES, INC. (US) 2023-05-11 WO disclosed
WO-2023023347-A1 PRODRUGS AND DERIVATIVES OF PSILOCIN AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-02-23 WO disclosed
WO-2022212854-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS TERRAN BIOSCIENCES INC. (US) 2022-10-06 WO 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 (3 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-12612364-B2 Salts and solid forms of 4-hydroxy-N,N-diisopropyltryptamine hemi-glutarate and hemi-succinate SLC6A4, DLST, GRIN2D HTR4 74/4885KCNH2 880/4885CYP3A4 858/4885
US-20260085041-A1 SALTS AND SOLID FORMS OF 4-HYDROXY-N,N-DIISOPROPYLTRYPTAMINE HEMI-GLUTARATE AND HEMI-SUCCINATE SLC6A4, DLST, GRIN2D HTR4 74/4885KCNH2 880/4885CYP3A4 858/4885
US-20240165079-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS HTR2A, HTR2C, HTR1A HTR4 10/4885KCNH2 2417/4885CYP3A4 3683/4885

“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.