Sugi Predict

Sugi Predict / Compounds / SCHEMBL1750844

SCHEMBL1750844

SCHEMBL1750844

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 2/20 0.34
▸ LPAR5 Q9H1C0 2/20 0.34
▸ PYCR1 P32322 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ BACE1 P56817 3/20 0.33
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1751386 0.91 SIGMAR1 (0.33) LPAR1LPAR5
SCHEMBL4705163 0.89 LPAR1 (0.39) LPAR1LPAR5PYCR1KDM4E
SCHEMBL3079715 0.87 HDAC3 (0.37) LPAR1LPAR5PYCR1HDAC3HDAC1
SCHEMBL1751219 0.87 PYCR1 (0.34) PYCR1HDAC3HDAC1HDAC2NCOR2
SCHEMBL3095967 0.83 LPAR1 (0.35) LPAR1LPAR5HDAC3HDAC1HDAC2
SCHEMBL3075618 0.83 HTR2C (0.38) PYCR1
SCHEMBL3087626 0.80 SIGMAR1 (0.34) HDAC3HDAC1HDAC2NCOR2
SCHEMBL1750281 0.80 BACE1 (0.36) LPAR1LPAR5HDAC3HDAC1HDAC2
SCHEMBL1751364 0.79 LPAR1 (0.36) LPAR1LPAR5HDAC3HDAC1HDAC2
SCHEMBL1752401 0.78 HTR2A (0.38) PYCR1HDAC3

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 LPAR1 2537/4885LPAR5 1488/4885PYCR1 1264/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 LPAR1 2344/4885LPAR5 1174/4885PYCR1 1005/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 LPAR1 2452/4885LPAR5 2022/4885PYCR1 3034/4885

“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.