SCHEMBL5530729

SCHEMBL5530729

CC(C)(C)c1ccc(CN(CCc2ccc(F)c(C(F)(F)F)c2)C(=O)c2nccc3cc[nH]c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.39
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
GRM5 P41594 2/20 0.34
SLC6A9 P48067 3/20 0.34
KCNH2 Q12809 3/20 0.34
CYP3A4 P08684 2/20 0.34
SLC6A5 Q9Y345 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
MAPK14 Q16539 1/20 0.33
KMO O15229 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
BTK Q06187 1/20 0.33
ESRRG P62508 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
CYP2D6 P10635 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL5526900 0.92 KDM4A (0.39) TP53MAPTHDAC6BTKCDK8
SCHEMBL5532077 0.90 SLC6A9 (0.34) TP53MAPTGRM5SLC6A9KCNH2
SCHEMBL5532132 0.88 SLC2A1 (0.40) NR3C2TP53MAPTGRM5HDAC6
SCHEMBL5527991 0.88 PTPN7 (0.36) NR3C2PTPN7DUSP3TP53MAPT
SCHEMBL5528458 0.88 GRM5 (0.38) NR3C2PTPN7DUSP3TP53MAPT
SCHEMBL5529661 0.88 TP53 (0.43) TP53MAPTGRM5HDAC6MAPK14
SCHEMBL5527026 0.87 TP53 (0.35) TP53MAPTGRM5KCNH2HDAC6
SCHEMBL5535054 0.86 BTK (0.36) NR3C2PTPN7DUSP3TP53MAPT
SCHEMBL5529262 0.85 HDAC6 (0.35) TP53MAPTGRM5HDAC6ESRRG
SCHEMBL5530315 0.85 LMNA (0.38) TP53MAPTGRM5KCNH2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi HOFFMANN-LA ROCHE INC. 2007-08-09 US claimed
US-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi APOB, CETP, LIPC NR3C2 3402/4885PTPN7 429/4885DUSP3 4554/4885

“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.