SCHEMBL4195023

SCHEMBL4195023

CCN(CC1CCCC1)c1nc2cc(F)c(F)cc2cc1C=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CRHR1 P34998 1/20 0.32
FFAR2 O15552 1/20 0.31
POLB P06746 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL4189946 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EGAAL3MBTL1FFAR4
SCHEMBL2392414 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EGAAL3MBTL1MEN1
SCHEMBL2393935 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EGAAL3MBTL1MEN1
SCHEMBL2394735 0.82 CSNK1D (0.39) ALDH1A1KDM4EGAAL3MBTL1MEN1
SCHEMBL5623938 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EGAAL3MBTL1MEN1
SCHEMBL2395691 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL4194838 0.80 CRHR1 (0.32) CRHR1EGLN1
SCHEMBL2395175 0.78 CRHR1 (0.36) ALDH1A1L3MBTL1MAPTCRHR1FFAR2
SCHEMBL3041869 0.77 ALDH1A1 (0.35) ALDH1A1KDM4EL3MBTL1FFAR4MEN1
SCHEMBL2393581 0.77 FFAR2 (0.35) ALDH1A1KDM4EGAAL3MBTL1MEN1

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 14 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-8410275-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
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-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2012-09-06 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-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-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 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 (2 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 ALDH1A1 3563/4885KDM4E 1621/4885GAA 556/4885
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS CETP, LCAT, CES1 ALDH1A1 3563/4885KDM4E 1621/4885GAA 556/4885

“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.