SCHEMBL2542011

SCHEMBL2542011

COc1cc(CCCO)c(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
TNKS2 Q9H2K2 1/20 0.35
NNMT P40261 1/20 0.34
GCK P35557 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
SIRT6 Q8N6T7 1/20 0.30
LOX P28300 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
PABPC1 P11940 1/20 0.30

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
SCHEMBL2497902 0.90 MTNR1A (0.37) MTNR1AMTNR1BNNMTMEN1KMT2A
SCHEMBL2543745 0.84 MTNR1A (0.33) MTNR1AMTNR1BNNMTMEN1KMT2A
SCHEMBL31573501 0.83 NNMT (0.38) MTNR1AMTNR1BNNMTMEN1KMT2A
SCHEMBL17310189 0.83 NNMT (0.38) MTNR1AMTNR1BNNMTMEN1KMT2A
SCHEMBL1922545 0.79 NNMT (0.45) MTNR1AMTNR1BTNKS2NNMTGCK
SCHEMBL18083204 0.78 NNMT (0.39) MTNR1AMTNR1BNNMTMEN1KMT2A
SCHEMBL30486638 0.78 NNMT (0.35) MTNR1AMTNR1BNNMTMEN1KMT2A
SCHEMBL9013521 0.78 NNMT (0.35) MTNR1AMTNR1BNNMTMEN1KMT2A
SCHEMBL21591699 0.75 MTNR1B (0.51) MTNR1AMTNR1BNNMTMEN1KMT2A
SCHEMBL21591621 0.74 ALDH1A1 (0.34) MTNR1AMTNR1BNNMTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190811-B1 RENIN INHIBITORS MERCK CANADA INC (CA) 2013-08-07 EP disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
EP-2190811-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-06-02 EP disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 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-20110263658-A1 RENIN INHIBITORS REN, ACE, AGTR1 MTNR1A 940/4885MTNR1B 349/4885TNKS2 3716/4885

“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.