SCHEMBL30856952

SCHEMBL30856952

[2H]C([2H])(c1c[nH]c2ccc(OC(F)F)cc12)C([2H])([2H])N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.50
HTR1B P28222 6/20 0.50
HTR1A P08908 5/20 0.48
HTR2B P41595 3/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTR1E P28566 1/20 0.48
HTR1F P30939 1/20 0.48
HTR7 P34969 1/20 0.48
HTR3A P46098 1/20 0.48
HTR5A P47898 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HTR6 P50406 1/20 0.48
HTR4 Q13639 1/20 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
SCHEMBL29898340 0.93 HTR1D (0.46) HTR1DHTR1BHTR1AHTR2BHTR2A
SCHEMBL1196945 0.84 HTR1D (0.52) HTR1DHTR1BHTR1AHTR2BHTR2A
Mebufotenin SCHEMBL22800102 0.84 HTR2A (0.67) HTR1DHTR1BHTR1AHTR2BHTR2A
Mebufotenin SCHEMBL31079539 0.84 HTR2A (0.67) HTR1DHTR1BHTR1AHTR2BHTR2A
Mebufotenin SCHEMBL31079432 0.82 HTR1A (0.56) HTR1DHTR1BHTR1AHTR2BHTR2A
Mebufotenin SCHEMBL25180280 0.77 GPR84 (0.61) HTR1DHTR1BHTR1AHTR2BHTR2A
Mebufotenin SCHEMBL30257891 0.77 GPR84 (0.61) HTR1DHTR1BHTR1AHTR2BHTR2A
Mebufotenin SCHEMBL30261725 0.76 GPR84 (0.52) HTR1DHTR1BHTR1AHTR2BHTR2A
SCHEMBL3029742 0.75 HTR1D (0.58) HTR1DHTR1BHTR1AHTR2BHTR2A
SCHEMBL31579232 0.74 HTR2A (0.67) HTR1DHTR1BHTR1AHTR2BHTR2A

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-20240342126-A1 HALLUCINOGEN-FATTY ACID COMBINATION MINDSET PHARMA INC. (CA) 2024-10-17 US disclosed
US-20240166599-A1 INDOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC. (CA) 2024-05-23 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 (2 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-20240166599-A1 INDOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO TPH1, TPH2, HTR3A HTR1D 26/4885HTR1B 20/4885HTR1A 4/4885
US-20240342126-A1 HALLUCINOGEN-FATTY ACID COMBINATION FAAH, HTR5A, FAAH2 HTR1D 22/4885HTR1B 23/4885HTR1A 10/4885

“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.