SCHEMBL534971

SCHEMBL534971

COCCCc1ccc(C#C[Si](C)(C)C)c(CCNC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.42
MTNR1B P49286 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40
BLM P54132 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACACB O00763 2/20 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
SCHEMBL556606 0.88 MTNR1A (0.44) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL533826 0.78 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL533923 0.78 MTNR1A (0.48) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL534744 0.75 MTNR1A (0.51) MTNR1AMTNR1BLMNABLM
SCHEMBL557108 0.65 MTNR1A (0.36) MTNR1AMTNR1BKDM4EALDH1A1LMNA
SCHEMBL533955 0.65 MTNR1A (0.51) MTNR1AMTNR1BLMNABLM
SCHEMBL2930875 0.65 TTR (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL534402 0.64 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL556901 0.64 TAAR1 (0.40) MTNR1AMTNR1BSMN1; SMN2MAPTHPGD
SCHEMBL555531 0.63 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO 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 MTNR1A 2293/4885MTNR1B 1285/4885SMN1; 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.