SCHEMBL661082

SCHEMBL661082

Fc1ccc(F)c(OCCCc2ccc(Br)cc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.40
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP3A4 P08684 2/20 0.38
DRD4 P21917 1/20 0.36
CTSD P07339 1/20 0.35
CTSE P14091 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
SCHEMBL7606607 0.84 REN (0.41) RENTAAR1CYP3A4DRD4
SCHEMBL65300 0.74 HTR2A (0.32) HTR2A
SCHEMBL13617547 0.72 PLAU (0.41) RENHTR2ATAAR1
SCHEMBL8409310 0.72 FFAR1 (0.37) RENHTR2ATAAR1CYP3A4
SCHEMBL28893555 0.69 TAAR1 (0.50) HTR2ATAAR1
SCHEMBL7440812 0.69 KCNH2 (0.56) DRD4
SCHEMBL91267 0.69 LMNA (0.43)
SCHEMBL2471324 0.68 KCNH2 (0.53) CYP3A4DRD4
SCHEMBL7961204 0.67 TAAR1 (0.52) HTR2ATAAR1
SCHEMBL6740350 0.66 TAAR1 (0.46) HTR2ATAAR1

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 5 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-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
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

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 REN 1/4885HTR2A 3689/4885TAAR1 2754/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT REN 1/4885HTR2A 4397/4885TAAR1 3031/4885

“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.