SCHEMBL19969859

SCHEMBL19969859

CCC(=O)c1cn(S(C)(=O)=O)c2ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 10/20 0.54
▸ KCNH2 Q12809 1/20 0.51
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ PER2 O15055 7/20 0.40
▸ CRY1 Q16526 7/20 0.40
▸ CRY2 Q49AN0 7/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL19970012 0.86 HTR3A (0.55) HTR3AKCNH2HTR2AHTR7HTR6
SCHEMBL17176277 0.85 HTR3A (0.57) HTR3AKCNH2HTR6PER2CRY1
SCHEMBL15556917 0.85 HTR3A (0.57) HTR3AHTR6PER2CRY1CRY2
SCHEMBL17170593 0.81 HTR3A (0.56) HTR3AHTR6PER2CRY1CRY2
SCHEMBL19068172 0.80 KMT2A (0.57) HTR3AHTR6CNR1
SCHEMBL15558080 0.78 HTR3A (0.59) HTR3APER2CRY1CRY2
SCHEMBL8253688 0.76 HTR3A (0.46) HTR3AHTR2AHTR7HTR6PER2
SCHEMBL19969961 0.76 HTR3A (0.57) HTR3AKCNH2CNR1CNR2
SCHEMBL14831344 0.75 HTR3A (0.51) HTR3AHTR2AHTR7HTR6PER2
SCHEMBL15730221 0.75 HTR6 (0.46) HTR3AKCNH2HTR6PER2CRY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 — — 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-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885KCNH2 1086/4885HTR2A 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.

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