SCHEMBL533955

SCHEMBL533955

CC(=O)NCCc1cccnc1C#C[Si](C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.51
MTNR1B P49286 12/20 0.45
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL533912 0.85 MTNR1A (0.52) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL534744 0.80 MTNR1A (0.51) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL555808 0.75 MTNR1A (0.58) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL12342010 0.71 NPSR1 (0.47) MTNR1AMTNR1B
SCHEMBL533826 0.70 MTNR1A (0.49) MTNR1AMTNR1BTSHRKMT2A
SCHEMBL7427031 0.70 CYP11B1 (0.43) MTNR1AMEN1CYP1A2KMT2A
SCHEMBL27667489 0.68 PLCG1 (0.34)
SCHEMBL2657493 0.68 KDM4E (0.43) LMNACYP1A2TSHRBLM
SCHEMBL27450481 0.68 MTNR1A (1.00) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL8229644 0.67 MTNR1A (0.65) MTNR1AMTNR1BMEN1LMNACYP1A2

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 1285/4885MEN1 4385/4885

“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.