SCHEMBL663538

SCHEMBL663538

C=CCNCc1cc(CCOC)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
SIGMAR1 Q99720 1/20 0.34
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10186682 0.85 SIGMAR1 (0.36) SIGMAR1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8251205 0.83 HTR1A (0.44) HTTSIGMAR1CYP1A2CYP3A4CYP2C19
SCHEMBL660708 0.80 SLC6A4 (0.47) HTTSIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL664699 0.77 MEN1 (0.51) HTTSIGMAR1CYP3A4CYP2C19KMT2A
SCHEMBL667234 0.76 NR3C1 (0.43) HTTTSHRKMT2AMEN1L3MBTL1
SCHEMBL661726 0.75 MEN1 (0.46) HTTSIGMAR1CYP3A4CYP2C19KMT2A
SCHEMBL91283 0.75 GPR84 (0.44) HTTSIGMAR1HPGDSLC6A4SMN1; SMN2
SCHEMBL662625 0.74 KCNH2 (0.40) HTTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL662701 0.73 TSHR (0.39) HTTHPGDCYP3A4MAPTSMN1; SMN2
SCHEMBL662524 0.72 POLB (0.42) HTTCYP1A2CYP3A4CYP2C19SMN1; SMN2

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 9 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
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 HTT 4036/4885SIGMAR1 4561/4885HPGD 559/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT HTT 4174/4885SIGMAR1 4395/4885HPGD 523/4885

“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.