SCHEMBL16632515

SCHEMBL16632515

COc1nc2ccc(C(O)C3CCN(C(=O)O)CC3)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.58
ADRA2B P18089 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
NR1H3 Q13133 1/20 0.50
NR1I3 Q14994 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL16632513 0.94 RORC (0.62) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL19327709 0.92 RORC (0.60) RORC
SCHEMBL16632409 0.92 RORC (0.68) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL21518210 0.89 RORC (0.53) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL16632360 0.87 RORC (0.55) RORC
SCHEMBL16461675 0.85 RORC (0.72) RORC
SCHEMBL16632369 0.85 RORC (0.55) RORC
SCHEMBL15648692 0.85 RORC (0.56) RORC
SCHEMBL16461673 0.82 RORC (0.56) RORC
SCHEMBL16655877 0.80 RORC (0.61) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057949-B1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF ROR GAMMA T JANSSEN PHARMACEUTICA NV (BE) 2019-06-05 EP claimed
EP-3057949-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP claimed
WO-2015057206-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO claimed
EP-3560920-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF ROR GAMMA T Janssen Pharmaceutica NV (BE) 2019-10-30 EP disclosed
EP-3057949-B1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF ROR GAMMA T JANSSEN PHARMACEUTICA NV (BE) 2019-06-05 EP disclosed
EP-3057949-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
US-9221804-B2 Secondary alcohol quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2015-12-29 US disclosed
WO-2015057206-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150105372-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 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-20150105372-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885ADRA2B 465/4885PPARG 76/4885

“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.