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Sugi Predict / Compounds / SCHEMBL5530101

SCHEMBL5530101

SCHEMBL5530101

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2nc(C(F)(F)F)cc3cc[nH]c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ CENPE Q02224 3/20 0.34
▸ PIN1 Q13526 1/20 0.33
▸ ESRRG P62508 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ NR1I3 Q14994 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ TACR2 P21452 1/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ TMEM97 Q5BJF2 2/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CCR2 P41597 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
SCHEMBL5529673 0.93 CDK8 (0.35) TRPM8CENPEPIN1ESRRGTHRB
SCHEMBL5529652 0.90 ESRRG (0.34) CENPEPIN1ESRRGTHRBNR1I3
SCHEMBL5531078 0.89 LMNA (0.36) TRPM8PIN1ESRRGFABP4KCNH2
SCHEMBL5530770 0.89 GRM5 (0.38) CENPEPIN1ESRRGNR1I3CDK8
SCHEMBL5531836 0.88 SLC2A1 (0.37) PIN1CDK8KCNH2
SCHEMBL5527991 0.88 PTPN7 (0.36) TRPM8PIN1ESRRGKCNH2TRPV1
SCHEMBL5529262 0.85 HDAC6 (0.35) CENPEPIN1ESRRGTHRBNR1I3
SCHEMBL3273410 0.85 CDK8 (0.34) CENPEPIN1ESRRGNR1I3CDK8
SCHEMBL5537737 0.85 GRM5 (0.35) TRPM8ESRRGTHRBCDK8TRPV1
SCHEMBL5529641 0.85 PPARG (0.37) TRPM8PIN1KCNH2

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 TRPM8 4627/4885CENPE 4612/4885PIN1 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.