SCHEMBL660562

SCHEMBL660562

CC(=O)N(C)Cc1ccc(Cl)c(CNC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
REN P00797 2/20 0.42
CCR1 P32246 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
HSP90AA1 P07900 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.36
PDK2 Q15119 1/20 0.36
TACR1 P25103 1/20 0.35
SSTR3 P32745 1/20 0.35

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
SCHEMBL12138418 0.86 ALDH1A1 (0.42) POLBALDH1A1SMN1; SMN2MAPTREN
SCHEMBL3092881 0.84 CACNA1B (0.36) ALDH1A1SMN1; SMN2RENHTTMEN1
SCHEMBL4705517 0.81 KDM4E (0.41) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2635104 0.81 POLB (0.50) POLBALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL1750883 0.81 TSHR (0.44) POLBALDH1A1SMN1; SMN2MAPTREN
SCHEMBL662970 0.80 ALDH1A1 (0.46) POLBALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL10186629 0.80 KDM4E (0.39) POLBALDH1A1SMN1; SMN2MAPTREN
SCHEMBL662753 0.78 ALDH1A1 (0.49) POLBALDH1A1SMN1; SMN2MAPTREN
SCHEMBL1751304 0.78 KDM4E (0.48) POLBALDH1A1SMN1; SMN2MAPTREN
SCHEMBL1751524 0.77 TSHR (0.61) SMN1; SMN2RENMEN1KMT2ASSTR3

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-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 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
WO-2009070869-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-06-11 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 (3 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 2865/4885ALDH1A1 2104/4885SMN1; SMN2 4657/4885
US-20100249163-A1 RENIN INHIBITORS REN, ACE, AGTR1 POLB 1615/4885ALDH1A1 1125/4885SMN1; SMN2 4691/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT POLB 2408/4885ALDH1A1 2078/4885SMN1; SMN2 4550/4885

“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.