SCHEMBL1750822

SCHEMBL1750822

C=Cc1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
SLC6A4 P31645 6/20 0.37
SLC6A2 P23975 5/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM1A O60341 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TACR1 P25103 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.34
HTR2A P28223 2/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33

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
SCHEMBL1752078 0.90 REN (0.42) RENSLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL1074074 0.88 REN (0.43) RENSLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL4526670 0.85 REN (0.43) RENSLC6A4SLC6A2SLC6A3TACR1
SCHEMBL662365 0.84 REN (0.40) RENKDM1AHDAC8HDAC6TACR1
SCHEMBL663586 0.82 REN (0.43) RENSLC6A4SLC6A2SLC6A3TACR1
SCHEMBL4682640 0.82 SLC6A2 (0.40) RENSLC6A4SLC6A2SLC6A3HDAC8
SCHEMBL1752126 0.81 REN (0.43) RENTACR1HSD11B1HTR2ACYP3A4
SCHEMBL1074676 0.80 REN (0.38) RENSLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL1751809 0.80 REN (0.45) RENTACR1CYP3A4
SCHEMBL1750635 0.80 PTGDR2 (0.45) RENSLC6A4SLC6A2SLC6A3MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 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 (1 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-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885SLC6A4 504/4885SLC6A2 51/4885

“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.