SCHEMBL16632109

SCHEMBL16632109

O=C(c1ccc(C(F)(F)F)nc1)C1CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.47
MGLL Q99685 4/20 0.46
CNR2 P34972 1/20 0.44
SFRP1 Q8N474 1/20 0.43
DPP4 P27487 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
LIPE Q05469 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL16632026 0.88 HSD11B1 (0.46) HSD11B1MGLLDPP4KDM4EPOLB
SCHEMBL16650437 0.86 CNR2 (0.41) CNR2SFRP1DPP4KDM4EPOLB
SCHEMBL997113 0.86 CNR2 (0.43) HSD11B1CNR2DPP4HRH3
SCHEMBL28081872 0.85 PIK3CD (0.46) HSD11B1MGLLDPP4LIPEHRH3
SCHEMBL16632062 0.83 STS (0.51) KMT2A
SCHEMBL2927877 0.81 KCNH2 (0.52) HSD11B1CNR2SFRP1DPP4KDM4E
SCHEMBL16654486 0.80 ACKR3 (0.43) HSD11B1MGLLCNR2HRH3KMT2A
SCHEMBL13391178 0.80 MEN1 (0.50) CNR2HRH3MEN1KMT2A
SCHEMBL28082009 0.79 SLC18A3 (0.43) HSD11B1MGLLCNR2SFRP1DPP4
SCHEMBL14638795 0.79 HSD11B1 (0.71) HSD11B1MGLLKDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057950-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2020-12-02 EP disclosed
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
US-9403816-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 US disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105404-A1 PHENYL LINKED 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 (4 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-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat RORC, RORB, RORA HSD11B1 809/4885MGLL 4296/4885CNR2 277/4885
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt RORC, RORB, RORA HSD11B1 504/4885MGLL 4075/4885CNR2 243/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HSD11B1 814/4885MGLL 4523/4885CNR2 281/4885
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HSD11B1 801/4885MGLL 4181/4885CNR2 188/4885

“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.