SCHEMBL20139618

SCHEMBL20139618

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

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.68
TACR1 P25103 3/20 0.50
PDE4B Q07343 3/20 0.47
NAMPT P43490 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
USP30 Q70CQ3 3/20 0.45
FPR2 P25090 2/20 0.44
FPR3 P25089 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 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
SCHEMBL20148981 1.00 RORC (0.68) RORCTACR1PDE4BNAMPTGPR119
SCHEMBL20149241 0.88 RORC (0.57) RORCTACR1PDE4BNAMPTUSP30
SCHEMBL20148976 0.88 RORC (0.57) RORCTACR1PDE4BNAMPTUSP30
SCHEMBL7890064 0.87 PDE4B (0.58) RORCTACR1PDE4BNAMPTUSP30
SCHEMBL20148899 0.86 RORC (0.72) RORCTACR1PDE4BNAMPTGPR119
SCHEMBL6917693 0.86 RORC (0.52) RORCTACR1PDE4BNAMPTKCNK3
SCHEMBL1992736 0.86 RORC (0.52) RORCTACR1PDE4BNAMPTKCNK3
SCHEMBL30912445 0.85 RORC (0.54) RORCTACR1PDE4BNAMPTKCNK3
SCHEMBL19459113 0.85 RORC (0.54) RORCTACR1PDE4BNAMPTKCNK3
SCHEMBL23951798 0.85 RORC (0.65) RORCTACR1PDE4BNAMPTGPR119

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 2/4885TACR1 1939/4885PDE4B 1135/4885

“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.