SCHEMBL504819

SCHEMBL504819

c1nc2c(o1)CCNCC2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.33
HTR2C P28335 10/20 0.33
HTR2A P28223 7/20 0.33
HTR2B P41595 5/20 0.33
HTR3A P46098 3/20 0.33
HTR6 P50406 2/20 0.33
HTR5A P47898 2/20 0.32
HTR1D P28221 1/20 0.32
HTR1E P28566 1/20 0.32

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
SCHEMBL505275 0.85
SCHEMBL9503228 0.85 MEN1 (0.34) HTR2C
SCHEMBL504501 0.85
SCHEMBL8352174 0.79
SCHEMBL1155690 0.75
SCHEMBL505323 0.74 CHRM5 (0.34)
SCHEMBL503315 0.74 CHRM5 (0.37)
SCHEMBL622567 0.71
SCHEMBL160362 0.68
SCHEMBL195162 0.66 PLD1 (0.39) HTR2CHTR2AHTR2BHTR3AHTR6

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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 HTR7 419/4885HTR2C 236/4885HTR2A 247/4885

“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.