SCHEMBL5532077

SCHEMBL5532077

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.34
KCNH2 Q12809 2/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33
ESRRG P62508 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.32
ICMT O60725 1/20 0.32
GRM5 P41594 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
PIN1 Q13526 1/20 0.31
CENPE Q02224 1/20 0.31
MAOB P27338 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMO O15229 1/20 0.31

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
SCHEMBL5529262 0.92 HDAC6 (0.35) TP53MAPTHDAC6ESRRGTHRB
SCHEMBL5530729 0.90 NR3C2 (0.39) SLC6A9KCNH2TP53MAPTHDAC6
SCHEMBL5526900 0.88 KDM4A (0.39) TP53MAPTHDAC6THRBTRPM8
SCHEMBL5531707 0.88 GRM5 (0.36) SLC6A9KCNH2TP53MAPTESRRG
SCHEMBL5529661 0.88 TP53 (0.43) TP53MAPTHDAC6ESRRGGRM5
SCHEMBL5530315 0.85 LMNA (0.38) KCNH2TP53MAPTHDAC6ESRRG
SCHEMBL5531740 0.85 PIN1 (0.45) MAPTHDAC6ESRRGPOLBGRM5
SCHEMBL5532132 0.85 SLC2A1 (0.40) TP53MAPTHDAC6GRM5PIN1
SCHEMBL1385469 0.84 GRM5 (0.36) TP53MAPTESRRGICMTGRM5
SCHEMBL5527026 0.84 TP53 (0.35) KCNH2TP53MAPTHDAC6ESRRG

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 SLC6A9 4175/4885KCNH2 2584/4885TP53 3316/4885

“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.