SCHEMBL533826

SCHEMBL533826

CC(=O)NCCc1cc(F)ccc1C#C[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.49
MTNR1B P49286 5/20 0.49
NOTUM Q6P988 1/20 0.49
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2B P41595 1/20 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
SCHEMBL534402 0.85 MTNR1A (0.52) MTNR1AMTNR1BNOTUMHTR2B
SCHEMBL534744 0.81 MTNR1A (0.51) MTNR1AMTNR1BTSHRKMT2A
SCHEMBL534971 0.78 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL17689405 0.76 MTNR1A (0.59) MTNR1AMTNR1BNOTUMHTR2B
SCHEMBL15524127 0.76 ICMT (0.39)
SCHEMBL3075234 0.75 MTNR1A (0.58) MTNR1AMTNR1BNOTUM
SCHEMBL31627780 0.74 MTNR1A (0.57) MTNR1AMTNR1BNOTUM
SCHEMBL534533 0.74 MTNR1A (0.57) MTNR1AMTNR1BNOTUM
SCHEMBL3074120 0.73 MTNR1A (0.59) MTNR1AMTNR1BNOTUMTSHRKMT2A
SCHEMBL3621665 0.71 ALDH1A1 (0.35) KMT2A

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 1285/4885NOTUM 1301/4885

“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.