SCHEMBL663548

SCHEMBL663548

N#CCCc1ccc(Cl)c(CNC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 2/20 0.38
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
BACE1 P56817 2/20 0.36
REN P00797 2/20 0.36
HTT P42858 2/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
KCNH2 Q12809 1/20 0.34
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33
SIGMAR1 Q99720 3/20 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
SCHEMBL661887 0.86 POLB (0.40) MEN1KMT2APOLBBCHEACHE
SCHEMBL1071895 0.83 KCNH2 (0.35) MEN1KMT2APOLBBCHEACHE
SCHEMBL2635861 0.82 SIGMAR1 (0.44) MEN1KMT2APOLBBCHEACHE
SCHEMBL2635104 0.82 POLB (0.50) MEN1KMT2APOLBBCHEACHE
SCHEMBL10186620 0.81 POLB (0.41) MEN1KMT2APOLBBCHEACHE
SCHEMBL3093702 0.80 SLC6A4 (0.43) MEN1KMT2APOLBBCHEACHE
SCHEMBL664042 0.79 POLB (0.39) MEN1KMT2APOLBBCHEACHE
SCHEMBL3088350 0.79 TAAR1 (0.44) MEN1KMT2APOLBBCHEACHE
SCHEMBL10186616 0.79 SPHK1 (0.40) MEN1KMT2APOLBBCHEACHE
SCHEMBL12757502 0.78 CSNK2A1 (0.44) MEN1KMT2APOLBBCHEACHE

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 12 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-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 MEN1 3395/4885KMT2A 4587/4885POLB 2865/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT MEN1 3226/4885KMT2A 4576/4885POLB 2408/4885

“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.