SCHEMBL4881743

SCHEMBL4881743

O=C1C=CC=C(C2=CN(CCN3CCC(c4ccccc4C(=O)NCCNC(=O)Nc4ccc5ccccc5c4)CC3)C=CO2)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 5/20 0.37
CCR2 P41597 1/20 0.35
EPHX1 P07099 3/20 0.34
EPHX2 P34913 5/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLR1A O95602 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL4430196 0.89 DRD4 (0.36) CYP2D6CYP1A2CYP2C19POLR1ASLC6A2
SCHEMBL4430356 0.88 KDM4E (0.41) EPHX1DRD4
SCHEMBL4891155 0.86 UTS2R (0.36)
SCHEMBL4890309 0.85 BCL3 (0.35)
SCHEMBL4440078 0.85 UTS2R (0.36)
SCHEMBL4433580 0.85 HDAC3 (0.36) CCR2
SCHEMBL4885280 0.85 STAT3 (0.37) POLR1A
SCHEMBL4430408 0.84 UTS2R (0.37)
SCHEMBL4432781 0.84 NPFFR1 (0.36) DRD4
SCHEMBL4438087 0.83 UTS2R (0.43)

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 claimed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US claimed
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 CXCR3 437/4885CCR2 240/4885EPHX1 1387/4885

“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.