SCHEMBL3862971

SCHEMBL3862971

CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(C#Cc3cccc(-c4c5cccc(C(F)(F)F)c5nn4Cc4c(F)cc(F)cc4F)c3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.40
NR1H3 Q13133 13/20 0.40
NR1I2 O75469 2/20 0.40
NR3C1 P04150 2/20 0.40
AR P10275 1/20 0.38
RXRA P19793 1/20 0.38
HDAC4 P56524 1/20 0.38
CRBN Q96SW2 1/20 0.38
KDM1A O60341 1/20 0.37
CNR2 P34972 1/20 0.36
LMNA P02545 2/20 0.36
RORC P51449 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3858254 0.95 NR1H2 (0.43) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3859865 0.89 NR1H2 (0.43) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1414301 0.88 NR1H2 (0.43) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3858344 0.88 MAPT (0.39) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408514 0.85 NR1H2 (0.46) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407295 0.85 NR1H2 (0.48) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407433 0.83 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407217 0.79 NR1H2 (0.51) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407457 0.79 NR1H2 (0.48) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407648 0.78 NR1H2 (0.53) NR1H2NR1H3NR1I2NR3C1AR

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 4 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

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 2/4885NR1I2 6/4885

“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.