SCHEMBL26508356

SCHEMBL26508356

COc1cccc2[nH]cc(CCN3CCC3)c12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.66
HTR2A P28223 8/20 0.66
HTR2C P28335 2/20 0.62
HTR2B P41595 2/20 0.62
HTR6 P50406 1/20 0.60
HRH3 Q9Y5N1 1/20 0.56
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
SIGMAR1 Q99720 1/20 0.51
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
DRD4 P21917 2/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL24723416 0.97 HTR1A (0.70) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL24723279 0.89 HTR2A (0.59) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL32669456 0.87 HTR2A (0.63) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL29992645 0.85 HTR2A (0.60) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL25253115 0.84 HTR2A (0.62) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL26508426 0.82 HTR2A (0.71) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL25293651 0.82 HTR2A (0.64) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL30777162 0.82 HTR2A (0.56) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL27084736 0.82 HTR2A (0.62) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL25245158 0.81 HTR2A (0.61) HTR1AHTR2AHTR2CHTR2BHTR6

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-20230322735-A1 AZETIDINYL TRYPTAMINES AND METHODS OF TREATING PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-10-12 US disclosed
US-20230322735-A1 AZETIDINYL TRYPTAMINES AND METHODS OF TREATING PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-10-12 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 (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-20230322735-A1 AZETIDINYL TRYPTAMINES AND METHODS OF TREATING PSYCHIATRIC DISORDERS TPH2, TPH1, HTR2A HTR1A 6/4885HTR2A 3/4885HTR2C 4/4885

“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.