SCHEMBL13799192

SCHEMBL13799192

CN1C(=O)[C@H](Cc2ccccc2)N(C)C(=O)C1Cc1ccccc1C#C[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.43
TAS2R8 Q9NYW2 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
TACR1 P25103 1/20 0.36
GFER P55789 1/20 0.36
CES2 O00748 3/20 0.36
PLA2G10 O15496 1/20 0.35
PLA2G5 P39877 1/20 0.35
MDM2 Q00987 4/20 0.34
DPP4 P27487 1/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MMP2 P08253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3171220 1.00 CAPN1 (0.43) CAPN1TAS2R8HDAC6TACR1GFER
SCHEMBL13799188 0.82 CAPN1 (0.48) CAPN1TAS2R8HDAC6TACR1GFER
SCHEMBL3162010 0.82 CAPN1 (0.48) CAPN1TAS2R8HDAC6TACR1GFER
SCHEMBL3026144 0.82 CAPN1 (0.48) CAPN1HDAC6TACR1GFERCES2
SCHEMBL23873935 0.78 CAPN1 (0.67) CAPN1HDAC6TACR1GFERCES2
SCHEMBL25937447 0.78 CAPN1 (0.67) CAPN1HDAC6TACR1GFERCES2
SCHEMBL13479857 0.76 CAPN1 (0.42) CAPN1TAS2R8HDAC6TACR1GFER
SCHEMBL14464270 0.76 CAPN1 (0.53) CAPN1TAS2R8HDAC6TACR1GFER
SCHEMBL13479919 0.74 CAPN1 (0.51) CAPN1TAS2R8HDAC6TACR1GFER
SCHEMBL3165644 0.74 CAPN1 (0.51) CAPN1TAS2R8HDAC6TACR1GFER

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-8450301-B2 Piperazine compounds with a herbicidal action BASF SE (DE) 2013-05-28 US disclosed
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 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-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION DDT, CAT, CIP2A CAPN1 579/4885TAS2R8 4694/4885HDAC6 243/4885

“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.