SCHEMBL16650986

SCHEMBL16650986

CC(C)(C)OC(=O)N1CC(C(O)c2ccnc(C(F)(F)F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.40
▸ ACACB O00763 2/20 0.39
▸ LIPE Q05469 2/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ RORC P51449 1/20 0.38
▸ TBK1 Q9UHD2 2/20 0.38
▸ SYK P43405 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.37
▸ USP30 Q70CQ3 2/20 0.37
▸ STS P08842 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
SCHEMBL16651323 0.83 HDAC4 (0.42) ACACB
SCHEMBL16662462 0.83 IDO1 (0.41) IDO1LIPEPDE4BGPR119USP30
SCHEMBL16651585 0.83 IDO1 (0.41) IDO1LIPEJAK1RORCGPR119
SCHEMBL20743087 0.79 GPBAR1 (0.45) JAK2JAK1RORCPDE4BUSP30
SCHEMBL20164090 0.78 DPP4 (0.45) IDO1RORCPDE4BGPR119USP30
SCHEMBL16651835 0.77 STS (0.42) LIPEJAK2JAK1RORCGPR119
SCHEMBL23211978 0.76 HDAC1 (0.46) IDO1RORCPDE4BGPR119USP30
SCHEMBL21384664 0.76 HDAC1 (0.46) IDO1RORCPDE4BGPR119USP30
SCHEMBL20164106 0.76 DPP4 (0.42) IDO1RORCPDE4BGPR119USP30
SCHEMBL19734488 0.76 DPP4 (0.42) IDO1RORCPDE4BGPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057422-B1 QUINOLINYL MODULATORS OF ROR(GAMMA)T JANSSEN PHARMACEUTICA NV (BE) 2019-05-15 — — EP disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 — — US disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 — — US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 — — US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 — — US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 — — US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 — — US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 — — US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 — — US disclosed
CN-105848483-A Quinolinyl modulators of roryt 詹森药业有限公司 2016-08-10 — — CN disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 — — US disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 — — 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 (3 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-20150111870-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB IDO1 456/4885ACACB 2668/4885LIPE 4801/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA IDO1 520/4885ACACB 3788/4885LIPE 4677/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB IDO1 456/4885ACACB 2668/4885LIPE 4801/4885

“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.

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