SCHEMBL16300041

SCHEMBL16300041

CC(C)(CN)C(C)(C)c1ccc2c(cnn2-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.49
CYP11B1 P15538 5/20 0.44
CYP11B2 P19099 5/20 0.44
SMO Q99835 2/20 0.41
PGR P06401 1/20 0.39

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
SCHEMBL3590691 0.88 NR3C1 (0.66) NR3C1SMOPGR
SCHEMBL9913433 0.80 TRPA1 (0.40) NR3C1CYP11B1CYP11B2
SCHEMBL28769263 0.77 NR3C1 (0.62) NR3C1CYP11B1CYP11B2
SCHEMBL27704145 0.77 NR3C1 (0.58) NR3C1CYP11B1CYP11B2
SCHEMBL16300043 0.76 NR3C1 (0.48) NR3C1CYP11B1CYP11B2SMOPGR
SCHEMBL27724842 0.75 NR3C1 (0.53) NR3C1CYP11B1CYP11B2PGR
SCHEMBL4719472 0.75 CYP11B1 (0.60) NR3C1CYP11B1CYP11B2
SCHEMBL22199134 0.73 NR3C1 (0.57) NR3C1CYP11B1CYP11B2SMOPGR
SCHEMBL27704147 0.72 NR3C1 (0.52) NR3C1CYP11B1CYP11B2SMO
SCHEMBL27724578 0.72 NR3C1 (0.52) NR3C1CYP11B1CYP11B2SMOPGR

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-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 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-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NR0B1, NFKB2 NR3C1 5/4885CYP11B1 69/4885CYP11B2 109/4885

“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.