SCHEMBL4888481

SCHEMBL4888481

O=C1C=CC=C(C2=CN(CCN3CCC(c4ccccc4C(=O)NCCc4ccc(F)cc4)CC3)C=CO2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 5/20 0.35
MCHR1 Q99705 3/20 0.35
CYP2D6 P10635 2/20 0.35
CHRM1 P11229 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTR1F P30939 1/20 0.35
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
BCL3 P20749 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4432781 0.94 NPFFR1 (0.36) CCR3MEN1KMT2AALDH1A1NPC1
SCHEMBL4563703 0.94 BCL3 (0.36) CCR3KMT2AHTR2AALDH1A1DRD2
SCHEMBL4438694 0.93 ADRA1A (0.36) CCR3MCHR1ALDH1A1BCL3NPC1
SCHEMBL4432573 0.93 TNKS (0.38) HTR2AMCHR1CYP2D6CHRM1DRD2
SCHEMBL4433331 0.93 TNKS (0.39) CCR3KMT2ADRD3
SCHEMBL4432093 0.92 DRD2 (0.37) CCR3HTR2ADRD2DRD3
SCHEMBL4888759 0.91 ALDH1A1 (0.39) ALDH1A1RAB9A
SCHEMBL4553861 0.91 BCL3 (0.36) CCR3KMT2AHTR2AALDH1A1DRD2
SCHEMBL4881598 0.91 SMN1; SMN2 (0.40) KMT2ACHRM1ALDH1A1BCL3KDM4E
SCHEMBL4430196 0.90 DRD4 (0.36) CCR3MCHR1CYP2D6

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 CCR3 1077/4885MEN1 2791/4885KMT2A 3204/4885

“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.