SCHEMBL946471

SCHEMBL946471

CN(Cc1cccc(CO)n1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.46
SLC6A4 P31645 6/20 0.46
CACNA1G O43497 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40
GLS O94925 2/20 0.38
HTR2A P28223 1/20 0.37
GBA1 P04062 1/20 0.36
APLNR P35414 1/20 0.36
PAX8 Q06710 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL26086914 0.87 GRM2 (0.39) HTR2CSLC6A4PAX8CTSLCTSB
SCHEMBL3511518 0.84 HTR2C (0.45) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL30912531 0.84 HTR2C (0.45) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL23131099 0.80 PAX8 (0.40) HTR2CSLC6A4GBA1PAX8SSTR4
SCHEMBL3747791 0.79 NPC1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19477815 0.78 SSTR4 (0.35) HTR2CSLC6A4PAX8SSTR4NPSR1
SCHEMBL4676290 0.78 HTR2C (0.49) HTR2CSLC6A4
SCHEMBL26089712 0.78 TSHR (0.37) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL2029389 0.77 HTR2C (0.41) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL12642221 0.77 HTR2C (0.41) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C

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-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 HTR2C 180/4885SLC6A4 853/4885CACNA1G 1809/4885

“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.