SCHEMBL660708

SCHEMBL660708

CNCc1cc(CCOC)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 3/20 0.47
NOS1 P29475 3/20 0.41
NOS3 P29474 2/20 0.41
NOS2 P35228 1/20 0.41
HTR2A P28223 11/20 0.41
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR1E P28566 2/20 0.41
HTR7 P34969 2/20 0.41
HTR2B P41595 2/20 0.41
HTR5A P47898 2/20 0.41
HTR6 P50406 2/20 0.41
HTR2C P28335 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TSHR P16473 1/20 0.41
KCNH2 Q12809 8/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL8251205 0.84 HTR1A (0.44) HTR2AHTR1AHTR1DHTR1BHTR1E
SCHEMBL667234 0.83 NR3C1 (0.43) TSHRKCNH2HTT
SCHEMBL91283 0.81 GPR84 (0.44) SLC6A4HTR2ASIGMAR1TSHRKCNH2
SCHEMBL10186666 0.81 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3NOS1NOS3
SCHEMBL662625 0.81 KCNH2 (0.40) TSHRKCNH2HTT
SCHEMBL16771200 0.81 PNMT (0.55) SIGMAR1TSHRKCNH2
SCHEMBL662701 0.80 TSHR (0.39) TSHRKCNH2HTT
SCHEMBL663538 0.80 HTT (0.40) SLC6A4SLC6A2SLC6A3HTR2AHTR1A
SCHEMBL664699 0.79 MEN1 (0.51) SIGMAR1KCNH2HTT
SCHEMBL662524 0.79 POLB (0.42) TSHRHTT

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 SLC6A4 1352/4885SLC6A2 374/4885SLC6A3 782/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT SLC6A4 2577/4885SLC6A2 912/4885SLC6A3 1838/4885

“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.