SCHEMBL3857913

SCHEMBL3857913

CN(C)c1cccc(-c2ccccc2C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
GPR3 P46089 1/20 0.37
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
HTR6 P50406 1/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
NSD2 O96028 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2969965 0.88 PTGS2 (0.40) PTGS2BCHEACHEHTR1AHTR7
SCHEMBL28855915 0.85 HTR1A (0.42) PTGS2HTR1AHTR7HTR1DHTR1B
SCHEMBL5220798 0.80 HTR1D (0.42) PTGS2HTR1AHTR7HTR1DHTR1B
Hydrochloric Acid SCHEMBL28515535 0.79 HTR1D (0.41) PTGS2HTR1AHTR7HTR1DHTR1B
Hydrochloric Acid SCHEMBL28502715 0.79 HTR1D (0.41) PTGS2HTR1AHTR7HTR1DHTR1B
SCHEMBL4476575 0.78 PTGS2 (0.56) PTGS2BCHEACHEGPR3PTPN5
SCHEMBL29732972 0.78 PTGS2 (0.40) PTGS2BCHEACHEHTR1AHTR7
SCHEMBL788140 0.77 CAMKK2 (0.35) PTGS2HTR1AHTR7HTR1DHTR1B
Hydrochloric Acid SCHEMBL28520193 0.77 HTR1D (0.42) PTGS2HTR1AHTR7HTR1DHTR1B
SCHEMBL8754990 0.76 PTGS2 (0.43) PTGS2BCHEACHEHTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592363-B2 Indazoles WYETH (US) 2009-09-22 US disclosed
CN-101213194-A Indazoles useful in treating cardiovascular diseases WYETH CORP (US) 2008-07-02 CN 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 PTGS2 694/4885BCHE 2629/4885ACHE 2817/4885

“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.