SCHEMBL1751745

SCHEMBL1751745

CC(C)(C)OC(=O)N(CCc1ccc(Cl)c(C=O)c1)CC(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.34
CDK8 P49336 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CDK1 P06493 1/20 0.33
ADRB3 P13945 1/20 0.33
KCNH2 Q12809 5/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
LPAR1 Q92633 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
TMEM97 Q5BJF2 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1751364 0.89 LPAR1 (0.36) ALDH1A1LPAR1LPAR5
SCHEMBL3081036 0.87 TSHR (0.36) SIGMAR1CDK8CLK4CDK1CYP1A2
SCHEMBL1751398 0.84 SIGMAR1 (0.34) SIGMAR1CDK8CLK4ADRB3KCNH2
SCHEMBL3087044 0.82 CDK8 (0.41) SIGMAR1CDK8CLK4CDK1KCNH2
SCHEMBL1751180 0.79 SSTR4 (0.36) ALDH1A1
SCHEMBL1751386 0.79 SIGMAR1 (0.33) SIGMAR1CDK8CLK4ADRB3KCNH2
SCHEMBL1751384 0.78 ADRB3 (0.38) SIGMAR1CDK8CLK4ADRB3MEN1
SCHEMBL3091659 0.78 HDAC3 (0.39) MEN1ALDH1A1MAPTKMT2ALPAR1
SCHEMBL1750630 0.77 SMYD2 (0.36) SIGMAR1
SCHEMBL1751232 0.77 HTR4 (0.34) ADRB3KCNH2CYP1A2CYP2C19MEN1

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 SIGMAR1 1187/4885CDK8 1486/4885CLK4 2242/4885

“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.