SCHEMBL8820122

SCHEMBL8820122

Cc1ccc2c(c1)cc(-c1ccccc1)n2C(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.62
NR1H3 Q13133 3/20 0.58

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
SCHEMBL17220693 0.90 NR1H2 (0.61) NR1H2NR1H3
SCHEMBL31694045 0.87 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL14367891 0.87 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL17220684 0.86 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL16760212 0.86 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL17220643 0.86 NR1H2 (0.74) NR1H2NR1H3
SCHEMBL17220656 0.84 NR1H2 (0.67) NR1H2NR1H3
SCHEMBL3001991 0.83 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL23320505 0.82 CYP19A1 (0.59) NR1H2NR1H3
SCHEMBL27983070 0.81 NR1H2 (0.48) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9169729-A None JP disclosed
US-9527812-B2 N-heterocyclic carbene-catalyzed synthesis of 2-aryl indoles NORTHWESTERN UNIVERSITY (US) 2016-12-27 US disclosed
US-9527812-B2 N-heterocyclic carbene-catalyzed synthesis of 2-aryl indoles NORTHWESTERN UNIVERSITY (US) 2016-12-27 US disclosed
US-9527812-B2 N-heterocyclic carbene-catalyzed synthesis of 2-aryl indoles NORTHWESTERN UNIVERSITY (US) 2016-12-27 US disclosed
US-20150315143-A1 N-Heterocyclic Carbene-Catalyzed Synthesis of 2-Aryl Indoles NORTHWESTERN UNIVERSITY 2015-11-05 US disclosed
US-20150315143-A1 N-Heterocyclic Carbene-Catalyzed Synthesis of 2-Aryl Indoles NORTHWESTERN UNIVERSITY 2015-11-05 US disclosed
US-20150315143-A1 N-Heterocyclic Carbene-Catalyzed Synthesis of 2-Aryl Indoles NORTHWESTERN UNIVERSITY 2015-11-05 US disclosed
JP-H09169729-A NONPEPTIDIC TYPE INTERLEUKIN 8 ANTAGONIST GREEN CROSS CORP:THE 1997-06-30 JP 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-20150315143-A1 N-Heterocyclic Carbene-Catalyzed Synthesis of 2-Aryl Indoles IDO2, IDO1, TPH2 NR1H2 4475/4885NR1H3 4604/4885

“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.