SCHEMBL1750787

SCHEMBL1750787

CC(C)(C)OC(=O)N(CCF)Cc1ccc(Cl)c(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
HDAC1 Q13547 4/20 0.36
HDAC3 O15379 3/20 0.36
HDAC2 Q92769 3/20 0.36
NCOR2 Q9Y618 3/20 0.36
GRM2 Q14416 1/20 0.34
S1PR1 P21453 1/20 0.32
BACE1 P56817 1/20 0.32
TSHR P16473 1/20 0.32
NAMPT P43490 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
GAA P10253 1/20 0.31
CA14 Q9ULX7 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
P2RX3 P56373 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
SCHEMBL3085139 0.87 HDAC3 (0.40) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL1750281 0.85 BACE1 (0.36) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL1751218 0.84 SSTR4 (0.35) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL1752008 0.83 HDAC3 (0.36) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL1751180 0.83 SSTR4 (0.36) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL3092565 0.82 S1PR1 (0.38) HDAC1HDAC3HDAC2NCOR2S1PR1
SCHEMBL3085983 0.82 SLC6A4 (0.41) CTSLCTSBCTSSHTR2ASLC6A4
SCHEMBL4705273 0.81 EGFR (0.34) S1PR1GAA
SCHEMBL3080688 0.80 TSHR (0.36) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL1751219 0.79 PYCR1 (0.34) SSTR4HDAC1HDAC3HDAC2NCOR2

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 SSTR4 998/4885HDAC1 82/4885HDAC3 69/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 SSTR4 859/4885HDAC1 219/4885HDAC3 224/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 SSTR4 516/4885HDAC1 1714/4885HDAC3 2748/4885

“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.