SCHEMBL667234

SCHEMBL667234

COCCc1ccc(Cl)c(CNC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADRA1A P35348 1/20 0.43
CYP2J2 P51589 1/20 0.43
PDE4D Q08499 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CASR P41180 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
KCNH2 Q12809 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36

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
SCHEMBL10186676 0.83 LMNA (0.39) MEN1KMT2ALMNAKCNH2TMEM97
SCHEMBL660708 0.83 SLC6A4 (0.47) HTTKCNH2TSHR
SCHEMBL8251205 0.81 HTR1A (0.44) CYP2D6MEN1KMT2AL3MBTL1HTT
SCHEMBL662524 0.78 POLB (0.42) CYP2D6MEN1KMT2ANPSR1TDP1
SCHEMBL91283 0.78 GPR84 (0.44) NPSR1L3MBTL1HTTKCNH2KDM4E
SCHEMBL662625 0.77 KCNH2 (0.40) CYP2D6MEN1KMT2ANPSR1TDP1
SCHEMBL662701 0.76 TSHR (0.39) MEN1KMT2AHTTLMNAKCNH2
SCHEMBL663538 0.76 HTT (0.40) MEN1KMT2AL3MBTL1HTTKCNH2
SCHEMBL661726 0.76 MEN1 (0.46) CYP2D6MEN1KMT2AHTTKCNH2
SCHEMBL664699 0.75 MEN1 (0.51) CYP2D6MEN1KMT2AHTTKCNH2

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 NR3C1 947/4885ADRB2 92/4885ADRB1 42/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT NR3C1 975/4885ADRB2 132/4885ADRB1 44/4885

“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.