SCHEMBL1407326

SCHEMBL1407326

CCOC(=O)C1CCN(c2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccc(C)cc3C)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.61
NR1H3 Q13133 13/20 0.61
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NR1I2 O75469 2/20 0.46
NR3C1 P04150 2/20 0.46
AR P10275 1/20 0.46
RXRA P19793 1/20 0.46
PDK2 Q15119 1/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LGMN Q99538 1/20 0.40

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
SCHEMBL1408262 0.91 NR1H2 (0.58) NR1H2NR1H3KDM4EALDH1A1NR1I2
SCHEMBL1407279 0.87 NR1H2 (0.58) NR1H2NR1H3KDM4EALDH1A1NR1I2
SCHEMBL1407156 0.86 NR1H2 (0.67) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407208 0.85 NR1H2 (0.47) NR1H2NR1H3KDM4EALDH1A1NR1I2
SCHEMBL3858014 0.80 NR1H2 (0.63) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407377 0.77 NR1H2 (1.00) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407512 0.77 NR1H2 (0.84) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407813 0.77 KDM4E (0.44) NR1H2NR1H3KDM4EALDH1A1NR1I2
SCHEMBL1407488 0.77 NR1H2 (0.55) NR1H2NR1H3KDM4EALDH1A1NR1I2
SCHEMBL27710163 0.77 NR1H2 (0.55) NR1H2NR1H3KDM4EALDH1A1NR1I2

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-7592363-B2 Indazoles WYETH (US) 2009-09-22 US claimed
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP claimed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO claimed
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 US claimed
EP-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP disclosed
US-7592363-B2 Indazoles WYETH (US) 2009-09-22 US disclosed
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP disclosed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO disclosed
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 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 (1 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-20060030612-A1 Indazoles useful in treating cardiovascular diseases NR1H2, NR1H3, CYP46A1 NR1H2 1/4885NR1H3 2/4885KDM4E 2645/4885

“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.