SCHEMBL556901

SCHEMBL556901

CC(=O)OCC(=O)NCCc1ccccc1C#C[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
CASP6 P55212 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
FAAH O00519 1/20 0.38
GAA P10253 1/20 0.38
MCL1 Q07820 1/20 0.37
MAPT P10636 1/20 0.37
UBE2I P63279 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36

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
SCHEMBL556123 0.86 MTNR1A (0.44) TAAR1CASP6SMN1; SMN2HPGDMTNR1A
SCHEMBL534744 0.83 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL17729329 0.78 ALDH1A1 (0.45) SMN1; SMN2HPGDMAPT
SCHEMBL555531 0.78 SMN1; SMN2 (0.50) SMN1; SMN2MAPT
SCHEMBL555438 0.76 ALDH1A1 (0.49) TAAR1SMN1; SMN2HPGDMTNR1AMTNR1B
SCHEMBL31064494 0.71 FFAR1 (0.52)
SCHEMBL3623135 0.70 KDM4E (0.43) SMN1; SMN2HPGDGAAMAPT
SCHEMBL20945353 0.69 ALDH1A1 (0.44) SMN1; SMN2HPGDGAAMAPT
SCHEMBL533834 0.68 MTNR1A (0.59) MTNR1AMTNR1B
SCHEMBL22526773 0.68 UCHL1 (0.37) HPGDMTNR1AMTNR1BMAPT

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 TAAR1 1781/4885CASP6 1940/4885SMN1; SMN2 4604/4885

“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.