SCHEMBL5528167

SCHEMBL5528167

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2ncc(F)c3cc[nH]c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 6/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ESRRG P62508 1/20 0.32
THRB P10828 1/20 0.32
PIN1 Q13526 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31
BTK Q06187 1/20 0.31
MAP3K19 Q56UN5 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ICMT O60725 1/20 0.31
RET P07949 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL5528436 0.92 TRPM8 (0.34) TRPM8THRBBTK
SCHEMBL5530082 0.91 ESRRG (0.33) CENPETRPM8ESRRGTHRBPDGFRB
SCHEMBL5531820 0.89 TP53 (0.41) TP53MAPTESRRGPIN1PDGFRB
SCHEMBL5535054 0.88 BTK (0.36) TRPM8TP53MAPTESRRGPIN1
SCHEMBL5526906 0.88 ESRRG (0.36) TP53MAPTESRRGPIN1PDGFRB
SCHEMBL5531743 0.87 SLC2A1 (0.38) TP53MAPTPIN1
SCHEMBL5533022 0.84 SLC6A9 (0.36) TRPM8TP53MAPTKCNH2
SCHEMBL5529262 0.83 HDAC6 (0.35) CENPETP53MAPTESRRGTHRB
SCHEMBL5532077 0.81 SLC6A9 (0.34) CENPETRPM8TP53MAPTESRRG
SCHEMBL5529652 0.81 ESRRG (0.34) CENPETP53MAPTESRRGTHRB

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 CENPE 4612/4885TRPM8 4627/4885TP53 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.