Sugi Predict

Sugi Predict / Compounds / SCHEMBL5536102

SCHEMBL5536102

SCHEMBL5536102

Cc1ccc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)c2nc(C)cc3cc[nH]c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.40
▸ LMNA P02545 2/20 0.38
▸ ESRRG P62508 1/20 0.38
▸ PIN1 Q13526 1/20 0.36
▸ MAPT P10636 3/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ COPS5 Q92905 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL5527675 0.93 PIN1 (0.44) GRM5ESRRGPIN1MAPTRCE1
SCHEMBL5522276 0.93 MAPT (0.41) GRM5LMNAESRRGPIN1MAPT
SCHEMBL5531078 0.89 LMNA (0.36) GRM5LMNAESRRGPIN1MAPT
SCHEMBL5530770 0.89 GRM5 (0.38) GRM5LMNAESRRGPIN1MAPT
SCHEMBL3272609 0.87 GRM5 (0.41) GRM5LMNAHDAC1HDAC6
SCHEMBL5531707 0.87 GRM5 (0.36) GRM5LMNAESRRGPIN1MAPT
SCHEMBL5528458 0.87 GRM5 (0.38) GRM5ESRRGPIN1MAPTKCNH2
SCHEMBL5524589 0.87 GRM5 (0.40) GRM5LMNAPIN1KMT2AHDAC1
SCHEMBL5530315 0.86 LMNA (0.38) GRM5LMNAESRRGPIN1MAPT
SCHEMBL5537716 0.86 GRM5 (0.36) GRM5ESRRGPIN1MAPTKCNH2

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 4093/4885LMNA 515/4885ESRRG 2624/4885

“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.