SCHEMBL472369

SCHEMBL472369

Fc1cc(C(F)(F)F)ccc1-c1cnco1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.48
IMPDH1 P20839 3/20 0.48
MPL P40238 1/20 0.43
AAK1 Q2M2I8 2/20 0.43
CYP11B2 P19099 8/20 0.42
CYP11B1 P15538 7/20 0.42
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
PDK2 Q15119 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
HSD11B1 P28845 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
SCHEMBL29541692 0.80 IMPDH2 (0.49) IMPDH2IMPDH1AAK1CYP11B2CYP11B1
SCHEMBL26915350 0.79 KDM1A (0.41) IMPDH2IMPDH1CYP11B2CYP11B1PDK2
SCHEMBL26464731 0.79 IMPDH2 (0.63) IMPDH2IMPDH1AAK1
SCHEMBL2898349 0.77 GAA (0.53) IMPDH2IMPDH1AAK1CYP11B2CYP11B1
SCHEMBL29454983 0.77 IMPDH2 (0.60) IMPDH2IMPDH1AAK1CYP11B2CYP11B1
SCHEMBL23493611 0.77 LMNA (0.53) IMPDH2IMPDH1AAK1GPR119
SCHEMBL5780722 0.77 IMPDH2 (0.60) IMPDH2IMPDH1AAK1CYP11B2CYP11B1
SCHEMBL30177609 0.77 IMPDH2 (0.50) IMPDH2IMPDH1AAK1PDK2GPR119
SCHEMBL472465 0.74 PTK2 (0.62) IMPDH2IMPDH1CYP11B2CYP11B1PDK2
SCHEMBL22170261 0.73 IMPDH2 (0.60) IMPDH2IMPDH1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057941-B1 NEW PHENYL-DIHYDROPYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
US-9636339-B2 Phenyl-dihydropyridine derivatives as aldosterone synthase inhibitors HOFFMAN-LA ROCHE INC. (US) 2017-05-02 US disclosed
US-9636338-B2 Phenyl-dihydropyridine derivatives as inhibitors of aldosterone synthase HOFFMANN-LA ROCHE INC. (US) 2017-05-02 US disclosed
EP-3057940-A1 PHENYL-DIHYDROPYRIDINE DERIVATIVES AS INHIBITORS OF ALDOSTERONE SYNTHASE F.HOFFMANN-LA ROCHE AG (CH) 2016-08-24 EP disclosed
EP-3057941-A1 NEW PHENYL-DIHYDROPYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2016-08-24 EP disclosed
US-20160229807-A1 NEW PHENYL-DIHYDROPYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-08-11 US disclosed
US-20160221954-A1 PHENYL-DIHYDROPYRIDINE DERIVATIVES AS INHIBITORS OF ALDOSTERONE SYNTHASE HOFFMANN-LA ROCHE INC. (US) 2016-08-04 US disclosed
WO-2015055602-A1 PHENYL-DIHYDROPYRIDINE DERIVATIVES AS INHIBITORS OF ALDOSTERONE SYNTHASE F. HOFFMANN-LA ROCHE AG (CH) 2015-04-23 WO disclosed
WO-2015055604-A1 NEW PHENYL-DIHYDROPYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-23 WO disclosed
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 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-20160229807-A1 NEW PHENYL-DIHYDROPYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS REN, CYP21A2, AGTR1 IMPDH2 1157/4885IMPDH1 559/4885MPL 4585/4885
US-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 IMPDH2 4461/4885IMPDH1 4147/4885MPL 4565/4885
US-20160221954-A1 PHENYL-DIHYDROPYRIDINE DERIVATIVES AS INHIBITORS OF ALDOSTERONE SYNTHASE REN, CYP21A2, NR3C2 IMPDH2 965/4885IMPDH1 441/4885MPL 4540/4885

“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.