SCHEMBL5531078

SCHEMBL5531078

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
PIN1 Q13526 1/20 0.36
ESRRG P62508 1/20 0.36
FABP4 P15090 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 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
SCHEMBL5536102 0.89 GRM5 (0.40) LMNAPIN1ESRRGHDAC6HDAC1
SCHEMBL5531836 0.89 SLC2A1 (0.37) PIN1HDAC8HDAC6HDAC1HDAC11
SCHEMBL5527991 0.89 PTPN7 (0.36) PIN1ESRRGHDAC6HDAC11MAPT
SCHEMBL5530101 0.89 TRPM8 (0.34) PIN1ESRRGFABP4KCNH2TRPM8
SCHEMBL5529673 0.87 CDK8 (0.35) PIN1ESRRGFABP4LPAR1LPAR5
SCHEMBL5529641 0.85 PPARG (0.37) PIN1LPAR1LPAR5KCNH2TRPM8
SCHEMBL5522276 0.84 MAPT (0.41) LMNAPIN1ESRRGMAPTTP53
SCHEMBL5530315 0.83 LMNA (0.38) LMNAPIN1ESRRGHDAC6MAPT
SCHEMBL5527675 0.83 PIN1 (0.44) PIN1ESRRGMAPTLPAR1LPAR5
SCHEMBL5524589 0.82 GRM5 (0.40) LMNAPIN1HDAC8HDAC6HDAC1

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 LMNA 515/4885PIN1 2667/4885ESRRG 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.