SCHEMBL20139649

SCHEMBL20139649

CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@@](C)(c2ccc(Br)cc2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.62
KDM1A O60341 1/20 0.38
ABCB1 P08183 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 3/20 0.36
RXRA P19793 2/20 0.36
NR1H3 Q13133 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL23683612 1.00 RORC (0.62) RORCKDM1AABCB1MEN1KMT2A
SCHEMBL20139582 0.96 RORC (0.62) RORCKDM1ANR1H2NR1H3
SCHEMBL20139623 0.96 RORC (0.62) RORCKDM1ANR1H2NR1H3
SCHEMBL23683610 0.89 RORC (0.50) RORC
SCHEMBL20139715 0.89 RORC (0.50) RORC
SCHEMBL20149051 0.85 RORC (0.49) RORCKDM1AABCB1
SCHEMBL23683611 0.80 RORC (0.57) RORCKDM1AABCB1NR1H2NR1H3
SCHEMBL20139622 0.80 RORC (0.57) RORCKDM1AABCB1NR1H2NR1H3
SCHEMBL23683622 0.77 RORC (1.00) RORC
SCHEMBL20139626 0.77 RORC (1.00) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078186-B2 ROR γ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
EP-3538522-A1 ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (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-11078186-B2 ROR γ modulators RORB, RORC, RORA RORC 2/4885KDM1A 1985/4885ABCB1 1778/4885

“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.