Sugi Predict

Sugi Predict / Compounds / SCHEMBL1752401

SCHEMBL1752401

SCHEMBL1752401

CC(C)(C)OC(=O)N(Cc1ccc(Cl)c(C(C)(C)O[SiH2]C(C)(C)C)c1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 8/20 0.38
▸ HSD11B1 P28845 1/20 0.36
▸ REN P00797 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ PYCR1 P32322 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ CETP P11597 1/20 0.32
▸ UBE2M P61081 1/20 0.32
▸ DCUN1D1 Q96GG9 1/20 0.32

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
SCHEMBL1750784 0.91 REN (0.34) HTR2AHSD11B1RENNR1H4KDM1A
SCHEMBL3095967 0.84 LPAR1 (0.35) HDAC6HDAC3
SCHEMBL3075618 0.84 HTR2C (0.38) PYCR1
SCHEMBL3079715 0.82 HDAC3 (0.37) PYCR1HDAC3
SCHEMBL1751560 0.79 REN (0.40) HTR2AHSD11B1RENNR1H4KDM1A
SCHEMBL1751219 0.79 PYCR1 (0.34) PYCR1HDAC3
SCHEMBL3084245 0.79 CDK8 (0.38) PYCR1
SCHEMBL1750844 0.78 LPAR1 (0.34) PYCR1HDAC3
SCHEMBL1751268 0.78 HTR2A (0.38) HTR2AHSD11B1RENNR1H4KDM1A
SCHEMBL3087626 0.77 SIGMAR1 (0.34) HTR2AHDAC3

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 7 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-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 — — US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 — — 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
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 — — US 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 (3 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-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 HTR2A 2555/4885HSD11B1 3856/4885REN 1/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 HTR2A 1616/4885HSD11B1 3674/4885REN 1/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 HTR2A 860/4885HSD11B1 322/4885REN 1/4885

“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.