SCHEMBL1750175

SCHEMBL1750175

CC(C)(C)OC(=O)N(Cc1ccc(Cl)c(CNC2CC2)c1)CC(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
BACE1 P56817 5/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
REN P00797 2/20 0.34
PTGES O14684 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.32
HTR4 Q13639 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
SCHEMBL1751232 0.91 HTR4 (0.34) RENPTGESMEN1KMT2ASMN1; SMN2
SCHEMBL3087726 0.88 HDAC3 (0.39) HDAC3HDAC1HDAC2NCOR2REN
SCHEMBL1752008 0.87 HDAC3 (0.36) HDAC3HDAC1HDAC2NCOR2REN
SCHEMBL3080082 0.86 ALDH1A1 (0.37) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL3092881 0.84 CACNA1B (0.36) RENMEN1KMT2ASMN1; SMN2SUV39H2
SCHEMBL1750281 0.84 BACE1 (0.36) HDAC3HDAC1HDAC2NCOR2BACE1
SCHEMBL1751081 0.82 REN (0.42) HDAC3REN
SCHEMBL3091571 0.80 NAMPT (0.37) HDAC3HDAC1HDAC2NCOR2REN
SCHEMBL3074250 0.78 CDK8 (0.37) RENMEN1KMT2ASMN1; SMN2SUV39H2
SCHEMBL1750843 0.78 LPAR1 (0.35) HDAC3HDAC1HDAC2NCOR2BACE1

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 9 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
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO disclosed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 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 HDAC3 69/4885HDAC1 82/4885HDAC2 75/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 HDAC3 224/4885HDAC1 219/4885HDAC2 172/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 HDAC3 2748/4885HDAC1 1714/4885HDAC2 1155/4885

“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.