SCHEMBL4880934

SCHEMBL4880934

O=C1C=CC=C(C2=CN(CCN3CCC(c4ccccc4C(=O)NCc4ccccc4)CC3)C=CO2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.38
CNR2 P34972 1/20 0.36
PREP P48147 1/20 0.35
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL4440061 0.94 MAPK1 (0.36) UTS2RPREPITGA4ITGB7POLB
SCHEMBL4432781 0.92 NPFFR1 (0.36) UTS2RMEN1KMT2AALDH1A1POLB
SCHEMBL4434641 0.92 USP2 (0.39) MEN1KMT2AALDH1A1
SCHEMBL15808512 0.91 EPHX2 (0.37) ALDH1A1
SCHEMBL4432414 0.90 ASAH1 (0.39) MEN1KMT2APOLB
SCHEMBL4438087 0.90 UTS2R (0.43) UTS2RHTR7
SCHEMBL4429197 0.89 HPGD (0.39) UTS2RMEN1KMT2AALDH1A1POLB
SCHEMBL4889118 0.89 SIGMAR1 (0.36) KMT2AALDH1A1
SCHEMBL4440078 0.89 UTS2R (0.36) UTS2R
SCHEMBL4890309 0.89 BCL3 (0.35) UTS2RMEN1KMT2A

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 2 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

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 UTS2R 1/4885CNR2 110/4885PREP 422/4885

“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.