SCHEMBL869258

SCHEMBL869258

CC(C)(C)OC(=O)N1CCc2cc(-c3cccc(F)c3C#N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
USP30 Q70CQ3 4/20 0.42
RORC P51449 3/20 0.42
DHODH Q02127 1/20 0.41
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
GPR119 Q8TDV5 2/20 0.39
BTK Q06187 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B3 P37058 1/20 0.38
NOTUM Q6P988 1/20 0.38
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL2373579 0.83 RORC (0.40) USP30RORCCYP11B1CYP11B2GPR119
SCHEMBL17785884 0.76 BRD4 (0.51) BRD4USP30DHODHCYP11B1CYP11B2
SCHEMBL13656966 0.76 GPR119 (0.47) BRD4DHODHCYP11B1CYP11B2GPR119
SCHEMBL16603725 0.75 NOTUM (0.65) BRD4DHODHCYP11B1CYP11B2GPR119
SCHEMBL30147443 0.75 NOTUM (0.65) BRD4DHODHCYP11B1CYP11B2GPR119
SCHEMBL3902752 0.75 ESR2 (0.50) BRD4USP30DHODHCYP11B1CYP11B2
SCHEMBL20956971 0.75 CYP11B2 (0.58) BRD4CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL18666566 0.74 DHODH (0.48) BRD4USP30DHODHCYP11B1CYP11B2
SCHEMBL24411925 0.73 BRD4 (0.49) BRD4USP30DHODHCYP11B1CYP11B2
SCHEMBL870211 0.73 BRD4 (0.45) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 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

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 BRD4 1064/4885USP30 1907/4885RORC 2460/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R BRD4 1064/4885USP30 1907/4885RORC 2460/4885

“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.