SCHEMBL4438689

SCHEMBL4438689

O=C(NCCc1ccc(F)c(F)c1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.58
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
DRD4 P21917 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 2/20 0.46
CHRM1 P11229 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
DRD2 P14416 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2A P28223 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
ADRA1B P35368 1/20 0.45
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL4429014 0.91 UTS2R (0.60) UTS2RTSHRHSD17B10DRD4HTT
SCHEMBL4563701 0.91 UTS2R (0.60) UTS2RTSHRHSD17B10POLBMAPK1
SCHEMBL4430191 0.90 UTS2R (0.59) UTS2RTSHRHSD17B10DRD4LMNA
SCHEMBL4432566 0.90 UTS2R (0.63) UTS2RTSHRHSD17B10DRD4HTT
SCHEMBL4431490 0.90 UTS2R (0.64) UTS2RHTTCHRM1CHRM2CHRM4
SCHEMBL4431347 0.89 UTS2R (0.59) UTS2RTSHRHSD17B10DRD4LMNA
SCHEMBL4433328 0.89 UTS2R (0.61) UTS2RTSHRHSD17B10DRD4HTT
SCHEMBL4553860 0.89 UTS2R (0.58) UTS2RPOLBMAPK1HTTCHRM1
SCHEMBL4437188 0.88 TSHR (0.66) UTS2RTSHRHSD17B10POLBLMNA
SCHEMBL4432087 0.88 UTS2R (0.60) UTS2RTSHRHSD17B10DRD4HTT

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 9 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
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP claimed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US claimed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 WO 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-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
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 1/4885TSHR 527/4885HSD17B10 3597/4885

“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.