SCHEMBL661887

SCHEMBL661887

N#CCc1ccc(Cl)c(CNC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
BCHE P06276 5/20 0.38
ACHE P22303 5/20 0.38
BACE1 P56817 5/20 0.38
CHEK1 O14757 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
PABPC1 P11940 1/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL663548 0.86 MEN1 (0.40) POLBBCHEACHEBACE1MEN1
SCHEMBL2635104 0.84 POLB (0.50) POLBBCHEACHEBACE1MEN1
SCHEMBL3093702 0.82 SLC6A4 (0.43) POLBBCHEACHEBACE1MEN1
SCHEMBL12757504 0.80 POLB (0.42) POLBBCHEACHEBACE1MEN1
SCHEMBL12757502 0.80 CSNK2A1 (0.44) POLBBCHEACHEBACE1MEN1
SCHEMBL2635861 0.79 SIGMAR1 (0.44) POLBBCHEACHEBACE1MEN1
SCHEMBL10186620 0.78 POLB (0.41) POLBBCHEACHEBACE1MEN1
SCHEMBL7750772 0.77 SIGMAR1 (0.49) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL3081029 0.77 HTR1A (0.43) POLBBCHEACHEBACE1MEN1
SCHEMBL10186647 0.77 POLB (0.40) POLBBCHEACHEBACE1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (2 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 POLB 2865/4885BCHE 1602/4885ACHE 2008/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT POLB 2408/4885BCHE 2004/4885ACHE 1733/4885

“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.