SCHEMBL868010

SCHEMBL868010

CC(=O)N1CCc2cc(-c3coc(N)c3C#N)ccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.53
CYP11B2 P19099 9/20 0.53
NOTUM Q6P988 7/20 0.48
HSD17B3 P37058 2/20 0.43
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
UCHL1 P09936 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
SCHEMBL14576479 0.87 CYP11B1 (0.51) CYP11B1CYP11B2NOTUMHSD17B3
SCHEMBL868699 0.81 CYP11B1 (0.48) CYP11B1CYP11B2NOTUM
SCHEMBL10198747 0.81 CYP11B1 (0.50) CYP11B1CYP11B2NOTUM
SCHEMBL6925694 0.81 CYP11B1 (0.46) CYP11B1CYP11B2NOTUM
SCHEMBL868698 0.81 CYP11B1 (0.47) CYP11B1CYP11B2NOTUMHSD17B3
SCHEMBL27975489 0.74 EIF2AK3 (0.67) CYP11B1CYP11B2NOTUM
SCHEMBL868870 0.74 EIF2AK3 (0.67) CYP11B1CYP11B2NOTUM
Hydrochloric Acid SCHEMBL6572261 0.73 CYP11B1 (0.56) CYP11B1CYP11B2NOTUMHSD17B3
SCHEMBL3457235 0.71 NOTUM (0.65) CYP11B1CYP11B2NOTUMHSD17B3TNF
SCHEMBL615232 0.71 NOTUM (0.69) CYP11B1CYP11B2NOTUMHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R CYP11B1 341/4885CYP11B2 1031/4885NOTUM 2790/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R CYP11B1 341/4885CYP11B2 1031/4885NOTUM 2790/4885

“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.