Sugi Predict

Sugi Predict / Compounds / SCHEMBL4197604

SCHEMBL4197604

SCHEMBL4197604

CCN(CC1CCCC1)c1nc(C)c([N+](=O)[O-])cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.34
▸ GRM6 O15303 1/20 0.34
▸ GRIA1 P42261 1/20 0.34
▸ GRIA2 P42262 1/20 0.34
▸ GRIA3 P42263 1/20 0.34
▸ GRIA4 P48058 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL5624907 0.73 SMN1; SMN2 (0.46) ALDH1A1KDM4ECYP2C9CYP1A2CYP2C19
SCHEMBL2395605 0.72 PLK1 (0.39) ALDH1A1KDM4EMAPTCYP2C19MEN1
SCHEMBL4356295 0.72 KDM4E (0.37) ALDH1A1KDM4EMAPTCYP2C19L3MBTL1
SCHEMBL5624337 0.71 KDM4E (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12094772 0.70 PGR (0.36) ALDH1A1KDM4EMAPTCYP2C9CYP1A2
SCHEMBL4352114 0.70 KDM4E (0.41) ALDH1A1KDM4ECYP2C19KMT2AL3MBTL1
SCHEMBL4360925 0.68 PGR (0.35) ALDH1A1KDM4ECYP2C19L3MBTL1TDP1
SCHEMBL1200398 0.67 VCAM1 (0.50) ALDH1A1KDM4EMAPTCYP2C9CYP1A2
SCHEMBL1314227 0.66 GLA (0.43) ALDH1A1KDM4EMAPTCYP2C9MEN1
SCHEMBL1313328 0.66 GRIA1 (0.46) ALDH1A1KDM4EMAPTCYP2C9CYP1A2

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 10 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-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-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 1621/4885MAPT 1868/4885
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS CETP, LCAT, CES1 ALDH1A1 3563/4885KDM4E 1621/4885MAPT 1868/4885

“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.