Sugi Predict

Sugi Predict / Compounds / SCHEMBL5531707

SCHEMBL5531707

SCHEMBL5531707

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.36
▸ SLC6A9 P48067 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ESRRG P62508 2/20 0.32
▸ ICMT O60725 1/20 0.32
▸ P2RX7 Q99572 2/20 0.32
▸ PIN1 Q13526 1/20 0.31
▸ CENPE Q02224 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ ESRRB O95718 1/20 0.30
▸ LMNA P02545 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
SCHEMBL5530770 0.92 GRM5 (0.38) GRM5TP53MAPTESRRGPIN1
SCHEMBL5528458 0.90 GRM5 (0.38) GRM5SLC6A9KCNH2TP53MAPT
SCHEMBL5522276 0.89 MAPT (0.41) GRM5TP53MAPTESRRGPIN1
SCHEMBL5537737 0.88 GRM5 (0.35) GRM5ESRRGP2RX7THRB
SCHEMBL5532077 0.88 SLC6A9 (0.34) GRM5SLC6A9KCNH2TP53MAPT
SCHEMBL5536102 0.87 GRM5 (0.40) GRM5KCNH2TP53MAPTESRRG
SCHEMBL5527675 0.86 PIN1 (0.44) GRM5MAPTESRRGPIN1NR1H4
SCHEMBL5524589 0.85 GRM5 (0.40) GRM5PIN1LMNA
SCHEMBL5529652 0.84 ESRRG (0.34) TP53MAPTESRRGPIN1CENPE
SCHEMBL5537716 0.84 GRM5 (0.36) GRM5KCNH2TP53MAPTESRRG

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 4093/4885SLC6A9 4175/4885KCNH2 2584/4885

“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.