SCHEMBL5517363

SCHEMBL5517363

CC(C)c1ccc2c(ccn2CC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.55
▸ NTSR1 P30989 6/20 0.46
▸ PPARD Q03181 6/20 0.44
▸ PPARA Q07869 5/20 0.44
▸ PPARG P37231 2/20 0.44
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL23612472 0.85 KMO (0.52) THRATHRB
SCHEMBL5537950 0.80 KMT2A (0.60) KMT2ANTSR1PPARDPPARAPPARG
SCHEMBL15701642 0.79 CYP19A1 (0.52) HTR2AHTR2C
SCHEMBL23612448 0.78 ACACB (0.46) HTR2AHTR2CEPHX2
SCHEMBL30103437 0.78 KMT2A (0.62) KMT2ANTSR1PPARDPPARAPPARG
SCHEMBL4234811 0.78 KMT2A (0.62) KMT2ANTSR1PPARDPPARAPPARG
SCHEMBL14876186 0.77 MTNR1A (0.58) KMT2APPARDPPARAPPARGHTR2C
SCHEMBL19778028 0.77 KMT2A (0.57) KMT2ANTSR1PPARDPPARAPPARG
SCHEMBL12320222 0.77 KMT2A (0.57) KMT2ANTSR1PPARDPPARAPPARG
SCHEMBL418013 0.76 KMT2A (0.60) KMT2ANTSR1PPARDPPARAPPARG

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 — — US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 — — US disclosed
EP-1727797-B1 PROCESS FOR CROSS COUPLING INDOLES BOEHRINGER INGELHEIM PHARMA (US) 2012-05-30 — — EP disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 — — US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 — — US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 — — US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 — — US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 — — US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — US disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 — — EP disclosed
US-7332614-B2 Process for cross coupling indoles BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2008-02-19 — — US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 — — 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 (2 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 KMT2A 1636/4885NTSR1 1625/4885PPARD 1372/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A KMT2A 1908/4885NTSR1 3482/4885PPARD 2246/4885

“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.

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