SCHEMBL5531740

SCHEMBL5531740

CC(C)(C)c1ccc(CN(CCc2ccccc2)C(=O)c2nccc3cc[nH]c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.45
RCE1 Q9Y256 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
GRM5 P41594 2/20 0.39
MAPT P10636 1/20 0.39
LPAR1 Q92633 3/20 0.38
LPAR5 Q9H1C0 3/20 0.38
ESRRG P62508 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
RAB9A P51151 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL5530315 0.92 LMNA (0.38) PIN1RCE1KMT2AMEN1HDAC6
SCHEMBL5529661 0.91 TP53 (0.43) PIN1KMT2AMEN1HDAC6GRM5
SCHEMBL5532132 0.89 SLC2A1 (0.40) PIN1HDAC6GRM5MAPT
SCHEMBL5529262 0.87 HDAC6 (0.35) PIN1HDAC6NR1H4GRM5MAPT
SCHEMBL5527675 0.86 PIN1 (0.44) PIN1RCE1KMT2AMEN1NR1H4
SCHEMBL5527035 0.86 PTGER2 (0.37) HDAC6NR1H4GRM5MAPTLPAR1
SCHEMBL5529903 0.86 SLC2A1 (0.38) MAPTLPAR1LPAR5PPARGPPARD
SCHEMBL5530729 0.85 NR3C2 (0.39) HDAC6GRM5MAPTLPAR1LPAR5
SCHEMBL5532077 0.85 SLC6A9 (0.34) PIN1HDAC6NR1H4GRM5MAPT
SCHEMBL5527026 0.84 TP53 (0.35) PIN1HDAC6GRM5MAPTESRRG

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 PIN1 2667/4885RCE1 2974/4885KMT2A 2398/4885

“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.