SCHEMBL5530770

SCHEMBL5530770

Cc1cc2cc[nH]c2c(C(=O)N(CCc2ccc(Cl)c(Cl)c2)Cc2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.38
ESRRG P62508 2/20 0.34
CENPE Q02224 1/20 0.34
NR1I3 Q14994 1/20 0.33
CDK8 P49336 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PIN1 Q13526 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
MAOB P27338 1/20 0.32
ESRRB O95718 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL5531707 0.92 GRM5 (0.36) GRM5ESRRGCENPEPIN1NR1H4
SCHEMBL5529652 0.92 ESRRG (0.34) ESRRGCENPENR1I3CDK8CLK4
SCHEMBL5537737 0.91 GRM5 (0.35) GRM5ESRRGCDK8
SCHEMBL5536102 0.89 GRM5 (0.40) GRM5ESRRGPIN1LMNAMEN1
SCHEMBL5530101 0.89 TRPM8 (0.34) ESRRGCENPENR1I3CDK8CLK4
SCHEMBL5527675 0.88 PIN1 (0.44) GRM5ESRRGPIN1NR1H4MEN1
SCHEMBL5529262 0.88 HDAC6 (0.35) GRM5ESRRGCENPENR1I3CDK8
SCHEMBL5522276 0.87 MAPT (0.41) GRM5ESRRGPIN1LMNAMEN1
SCHEMBL3273410 0.87 CDK8 (0.34) ESRRGCENPENR1I3CDK8CLK4
SCHEMBL5528458 0.85 GRM5 (0.38) GRM5ESRRGPIN1TP53MAPT

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 GRM5 4093/4885ESRRG 2624/4885CENPE 4612/4885

“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.