SCHEMBL4356295

SCHEMBL4356295

CCN(CC1CCCC1)c1nc2c(C)cn(C)c2cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PGR P06401 5/20 0.36
CYP2C19 P33261 3/20 0.36
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CLK1 P49759 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A4 P31645 1/20 0.34
AR P10275 1/20 0.33
CRHR1 P34998 3/20 0.32
PLK1 P53350 2/20 0.32
CTSL P07711 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 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
SCHEMBL4360925 0.89 PGR (0.35) KDM4EALDH1A1PGRCYP2C19MAPK1
SCHEMBL14390046 0.84 CRHR1 (0.34) ARCRHR1
SCHEMBL4354581 0.83 CRHR1 (0.32) CRHR1
SCHEMBL4352114 0.80 KDM4E (0.41) KDM4EALDH1A1PGRCYP2C19MAPK1
SCHEMBL12094772 0.75 PGR (0.36) KDM4EALDH1A1PGRCYP2C19MAPK1
SCHEMBL2395605 0.74 PLK1 (0.39) KDM4EALDH1A1PGRCYP2C19MAPK1
SCHEMBL5624907 0.73 SMN1; SMN2 (0.46) KDM4EALDH1A1CYP2C19MAPK1HSD17B10
SCHEMBL14390043 0.72 FFAR2 (0.36) CRHR1
SCHEMBL4357310 0.68 CETP (0.37)
SCHEMBL5624337 0.68 KDM4E (0.44) KDM4EALDH1A1MAPK1CASP1CLK1

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
CN-101622242-B Bicyclic derivatives as CETP inhibitors NOVARTIS AG 2013-07-17 CN 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-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
CN-101622242-A Bicyclic derivatives as CETP inhibitors NOVARTIS AG 2010-01-06 CN 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

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 KDM4E 1621/4885ALDH1A1 3563/4885PGR 1740/4885
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS CETP, LCAT, CES1 KDM4E 1621/4885ALDH1A1 3563/4885PGR 1740/4885

“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.