SCHEMBL16632108

SCHEMBL16632108

O=C(O)N1CCC(C(O)c2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
PSEN1 P49768 7/20 0.41
PSEN2 P49810 7/20 0.41
APH1B Q8WW43 7/20 0.41
NCSTN Q92542 7/20 0.41
APH1A Q96BI3 7/20 0.41
PSENEN Q9NZ42 7/20 0.41
P2RX7 Q99572 5/20 0.40
DPP4 P27487 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HDAC4 P56524 1/20 0.39
KCNK3 O14649 2/20 0.39
CYP3A4 P08684 1/20 0.37

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
SCHEMBL22558863 1.00 EPHX2 (0.43) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL16652200 0.87 HDAC4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16632037 0.84 NPC1 (0.46) DPP4
SCHEMBL22558920 0.84 NPC1 (0.46) DPP4
SCHEMBL22558945 0.84 P2RX7 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26154072 0.81 P2RX7 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21795776 0.81 CCR5 (0.39) CYP3A4
SCHEMBL22585512 0.80 EPHX2 (0.40) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL22558726 0.78 P2RX7 (0.40) P2RX7HRH3KCNK3
SCHEMBL25586650 0.77 DPP4 (0.49) EPHX2DPP4CYP3A4

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-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
EP-3057950-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
EP-3057951-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP 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
WO-2015057205-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
WO-2015057203-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO 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 EPHX2 1675/4885PSEN1 1872/4885PSEN2 2561/4885
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt RORC, RORB, RORA EPHX2 1857/4885PSEN1 1861/4885PSEN2 2723/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB EPHX2 1460/4885PSEN1 1894/4885PSEN2 2722/4885
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB EPHX2 1384/4885PSEN1 2420/4885PSEN2 3232/4885

“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.