SCHEMBL4881578

SCHEMBL4881578

O=C(NCCN1CCN(C(=O)O)CC1)c1cc(Cl)ccc1C1=CC2CCC(C1)N2CCN1C(=O)COc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.60
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD4 P21917 1/20 0.43
HTT P42858 2/20 0.43
RECQL P46063 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL4426612 0.91 UTS2R (0.75) UTS2RPOLBMAPK1ALDH1A1KMT2A
SCHEMBL4432485 0.83 UTS2R (0.56) UTS2RPOLBDRD4HTTCHRM1
SCHEMBL4427868 0.79 UTS2R (0.52) UTS2RPOLBALDH1A1KMT2AHTT
SCHEMBL4431593 0.75 UTS2R (1.00) UTS2RPOLBMAPK1DRD4
SCHEMBL4438271 0.75 UTS2R (0.76) UTS2RPOLBMAPK1ALDH1A1KMT2A
SCHEMBL4881586 0.74 UTS2R (0.35) UTS2R
SCHEMBL4440264 0.74 UTS2R (0.74) UTS2RPOLBMAPK1ALDH1A1KMT2A
SCHEMBL4428987 0.73 UTS2R (0.73) UTS2RALDH1A1KMT2ADRD4HTT
SCHEMBL27775670 0.71 UTS2R (0.72) UTS2RDRD4RECQLCHRM2CHRM4
SCHEMBL4439931 0.70 UTS2R (0.72) UTS2RPOLBMAPK1ALDH1A1KMT2A

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 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 UTS2R 1/4885POLB 4040/4885MAPK1 4201/4885

“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.