SCHEMBL4281989

SCHEMBL4281989

CCC(O)(c1ccc2c(cnn2-c2ccc(OC)cc2)c1)c1ccc(F)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.47
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
SMO Q99835 1/20 0.43

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
SCHEMBL4278527 0.91 NR3C1 (0.49) NR3C1CYP11B1CYP11B2SMO
SCHEMBL4286374 0.86 NR3C1 (0.62) NR3C1CYP11B1CYP11B2
SCHEMBL4283169 0.85 SMO (0.43) NR3C1CYP11B1CYP11B2SMO
SCHEMBL27724663 0.82 NR3C1 (0.53) NR3C1CYP11B1CYP11B2SMO
SCHEMBL27724676 0.82 NR3C1 (0.58) NR3C1SMO
SCHEMBL27704097 0.82 NR3C1 (0.50) NR3C1CYP11B1CYP11B2SMO
SCHEMBL4281356 0.80 CYP11B1 (0.46) NR3C1CYP11B1CYP11B2SMO
SCHEMBL28773244 0.79 NR3C1 (0.48) NR3C1CYP11B1CYP11B2
SCHEMBL27724544 0.77 NR3C1 (0.47) NR3C1CYP11B1CYP11B2SMO
SCHEMBL4273685 0.76 NR3C1 (0.67) NR3C1CYP11B1CYP11B2SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US claimed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 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-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, MC2R, NR3C2 NR3C1 1/4885CYP11B1 24/4885CYP11B2 40/4885

“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.