SCHEMBL4182913

SCHEMBL4182913

CCOC(=O)CCC(=O)C1CCC(CCOCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
POLB P06746 1/20 0.40
AGTR2 P50052 1/20 0.39
EGFR P00533 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
LMNA P02545 1/20 0.38
PPID Q08752 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL4224546 1.00 SMN1; SMN2 (0.41) SMN1; SMN2BCHEACHECACNA1FCACNA1D
SCHEMBL4190352 0.88 SMN1; SMN2 (0.43) SMN1; SMN2EGFRMAPK1PKMNPSR1
SCHEMBL12093803 0.86 AGTR2 (0.42) SMN1; SMN2ACHEAGTR2L3MBTL1ALDH1A1
SCHEMBL4228269 0.86 AGTR2 (0.43) SMN1; SMN2AGTR2L3MBTL1ALDH1A1ABL1
SCHEMBL13919349 0.79 USP2 (0.36) POLBMAPK1TDP1PKMLMNA
SCHEMBL28318091 0.79 TDP1 (0.49) SMN1; SMN2AGTR2MAPK1TDP1L3MBTL1
SCHEMBL23518932 0.79 ALDH1A1 (0.54) SMN1; SMN2POLBMAPK1TDP1L3MBTL1
SCHEMBL17891789 0.78 AGTR2 (0.46) POLBAGTR2EGFRL3MBTL1PKM
SCHEMBL17891790 0.78 AGTR2 (0.46) POLBAGTR2EGFRL3MBTL1PKM
SCHEMBL15779374 0.78 L3MBTL1 (0.40) ACHEAGTR2L3MBTL1ABL1RIN1

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-8410275-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8232403-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
US-8232403-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 US disclosed
EP-2024356-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-02-18 EP disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 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-20090227580-A1 Bicyclic derivatives as CETP inhibitors CETP, LCAT, CES1 SMN1; SMN2 4404/4885BCHE 705/4885ACHE 3738/4885
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS CETP, LCAT, CES1 SMN1; SMN2 4404/4885BCHE 705/4885ACHE 3738/4885
US-20090075968-A1 CETP inhibitors CETP, PCSK9, MTTP SMN1; SMN2 4730/4885BCHE 1258/4885ACHE 3061/4885

“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.