SCHEMBL15535385

SCHEMBL15535385

CC(=O)C1(C(=O)OC(C)(C)C)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NPSR1 Q6W5P4 1/20 0.31
BTK Q06187 1/20 0.31
GAA P10253 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
SCHEMBL80613 0.91 DGAT1 (0.37) DGAT1CYP4F2CYP4A11
SCHEMBL30683839 0.89 NPSR1 (0.34) DGAT1CYP4F2CYP4A11NPSR1BTK
SCHEMBL6355124 0.87 NPSR1 (0.33) DGAT1CYP4F2CYP4A11NPSR1GAA
SCHEMBL22927448 0.85 DGAT1 (0.33) DGAT1CYP4F2CYP4A11NPSR1BTK
SCHEMBL4829842 0.83 NPSR1 (0.31) DGAT1CYP4F2CYP4A11NPSR1BTK
SCHEMBL23293553 0.82 CYP2C19 (0.32) CYP4F2CYP4A11NPSR1BTK
SCHEMBL4824038 0.82 CYP4F2 (0.31) CYP4F2CYP4A11NPSR1
SCHEMBL4825718 0.82 NPSR1 (0.42) DGAT1CYP4F2CYP4A11NPSR1BTK
SCHEMBL7884001 0.80 CYP2C19 (0.31) CYP4F2CYP4A11
SCHEMBL27574308 0.80 CYP4F2 (0.30) CYP4F2CYP4A11

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US claimed
CN-104321311-A Novel process for the preparation of 2-cyclopentyl-6-methoxy-isonicotinic acid ACTELION PHARMACEUTICALS LTD 2015-01-28 CN claimed
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US disclosed
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US disclosed
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US disclosed
EP-2861585-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2015-04-22 EP disclosed
EP-2852575-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID Actelion Pharmaceuticals Ltd. (CH) 2015-04-01 EP disclosed
CN-104321311-A Novel process for the preparation of 2-cyclopentyl-6-methoxy-isonicotinic acid ACTELION PHARMACEUTICALS LTD 2015-01-28 CN disclosed
WO-2014033631-A1 N-(3-PYRIDYL) BIARYLAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-03-06 WO disclosed
WO-2013175388-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-11-28 WO disclosed
WO-2013175397-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD (CH) 2013-11-28 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-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID IMPDH1, IMPDH2, ITPA DGAT1 2944/4885CYP4F2 258/4885CYP4A11 305/4885

“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.