SCHEMBL4888709

SCHEMBL4888709

COC(=O)c1cc(Cl)ccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.53
PDK4 Q16654 1/20 0.53
MAPT P10636 1/20 0.49
JAK1 P23458 1/20 0.48
NAMPT P43490 1/20 0.47
HTR6 P50406 1/20 0.46
GRM1 Q13255 8/20 0.45
GRM5 P41594 7/20 0.45
SCN9A Q15858 2/20 0.45
DGAT2 Q96PD7 1/20 0.44

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
SCHEMBL12965676 0.88 GRM1 (0.52) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL6629695 0.88 PDK4 (0.52) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL4825697 0.86 CNR1 (0.54) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL23240953 0.85 CNR1 (0.55) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL8075949 0.85 PDK4 (0.64) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL30736543 0.85 PDK4 (0.64) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL19701841 0.85 CNR1 (0.55) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL4433323 0.85 MAPT (0.52) CNR1MAPT
SCHEMBL15556190 0.84 CNR1 (0.55) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL31342210 0.84 CNR1 (0.55) CNR1PDK4JAK1NAMPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 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-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 CNR1 246/4885PDK4 4833/4885MAPT 1633/4885

“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.