SCHEMBL5526906

SCHEMBL5526906

Cc1ccc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)c2ncc(F)c3cc[nH]c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.36
LMNA P02545 2/20 0.35
PIN1 Q13526 1/20 0.35
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.34
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
BTK Q06187 1/20 0.33
MAP3K19 Q56UN5 1/20 0.33
RET P07949 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
RCE1 Q9Y256 1/20 0.31
S1PR1 P21453 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 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
SCHEMBL5531820 0.94 TP53 (0.41) ESRRGLMNAPIN1MAPTTP53
SCHEMBL5535054 0.88 BTK (0.36) ESRRGPIN1MAPTTP53PDGFRB
SCHEMBL5528167 0.88 CENPE (0.34) ESRRGPIN1MAPTTP53PDGFRB
SCHEMBL5531743 0.86 SLC2A1 (0.38) PIN1MAPTTP53S1PR1
SCHEMBL5528436 0.85 TRPM8 (0.34) BTKS1PR1
SCHEMBL5533022 0.84 SLC6A9 (0.36) MAPTTP53LPAR1LPAR5
SCHEMBL5530315 0.82 LMNA (0.38) ESRRGLMNAPIN1MAPTTP53
SCHEMBL5530082 0.80 ESRRG (0.33) ESRRGLMNAPDGFRBKITFLT3
SCHEMBL5536102 0.79 GRM5 (0.40) ESRRGLMNAPIN1MAPTTP53
SCHEMBL5529661 0.78 TP53 (0.43) ESRRGLMNAPIN1MAPTTP53

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 ESRRG 2624/4885LMNA 515/4885PIN1 2667/4885

“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.